Thomas D. Grant PhD

Thomas Grant

Thomas D. Grant
PhD

Assistant Professor

Department of Structural Biology

Jacobs School of Medicine & Biomedical Sciences

Specialty/Research Focus

Computational Drug Discovery; Protein Function and Structure

Contact Information
955 Main Street
Room 5156
Buffalo, New York 14203
Phone: 7168295490
tdgrant@buffalo.edu
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Overview Research Publications Activities Latest News

Professional Summary:

My research focus is the development of new methods of analysis in structural biology. My lab uses tools such as X-ray crystallography and small angle scattering to probe the structure and dynamics of biological macromolecules such as proteins and nucleic acids. Our approaches include developing new computational algorithms to analyze data and using cutting edge technologies such as X-ray free electron lasers (XFELs) to collect data on ultrafast time-scales. By developing these tools, we can build pictures and movies of biological molecules to help understand how they perform their functions in the cell. These insights not only help drive advancements in basic science but also help in the design of new drugs for treating diseases.

Education and Training:
  • PhD, Structural and Computational Biology, University at Buffalo (2013)
  • BS, Mathematical Physics, University at Buffalo, Magna Cum Laude (2007)

Employment:
  • Assistant Professor, Structural Biology, University at Buffalo Jacobs School of Medicine & Biomedical Sciences (2020-present)
  • Research Assistant Professor, Structural Biology, University at Buffalo Jacobs School of Medicine & Biomedical Sciences (2018–2020)
  • Research Scientist, BioXFEL, University at Buffalo Jacobs School of Medicine & Biomedical Sciences (2014–2018)
  • Postdoctoral Research Associate, Structural Biology, Hauptman-Woodward Institute (2013–2014)

Awards and Honors:
  • Sidhu Award for Significant Contributions to the Science of Crystallography and/or Diffraction (2013)
  • 2013 Dean’s Distinguished Thesis Award (2013)
  • Margaret C. Etter Student Lecturer Award (2011)
  • Honorable Mention Recipient, NSF Graduate Research Fellowship Program (2009)

Research Expertise:
  • Iterative phasing for solution scattering: We develop algorithms that solve the phase problem for solution scattering. This provides 3D electron density maps from the 1D solution scattering profiles, giving insights into particle shape at low-resolution.
  • Serial crystallography: Serial crystallography is a type of X-ray crystallography technique that uses X-rays to take diffraction snapshots of hundreds of thousands of microcrystals in succession to build up a complete 3D diffraction pattern. This technique is most often done with X-ray free electron lasers, but can also be done with synchrotrons. We often perform serial crystallography experiments for both soluble and membrane proteins. This is one of the few approaches that is capable of determining the high-resolution structures of membrane proteins and is amenable to time-resolved studies.
  • Solution Scattering: We use solution scattering to probe the low-resolution structure of macromolecules in aqueous solution. These data are highly complementary to other structural techniques that provide high-resolution data such as X-ray crystallography, NMR and cryoEM.
  • Time-resolved X-ray scattering: We use ultrafast time-resolved X-ray scattering with X-ray free electron lasers to probe the dynamic motions of biological macromolecules. Currently we study visual rhodopsin, the core light sensing protein triggering the process of vision in humans.
  • X-ray crystallography: We routinely employ X-ray crystallography for probing the atomic scale 3D structures of biological macromolecules. We use high-throughput crystallization screening, optimization and X-ray diffraction at synchrotrons and XFELs.
  • XFEL Data Reduction and Analysis: We develop algorithms for data reduction of large data sets (>100 TB) generated by X-ray free electron lasers for both serial crystallography and solution scattering. We regularly provide data analysis support to dozens of research groups (internal and external to BioXFEL), including data reduction, analysis, modeling and interpretation.

Research Centers:
  • Center for Computational Research (CCR)

UB 2020 Strategic Strengths:
  • Molecular Recognition in Biological Systems and Bioinformatics

Grants and Sponsored Research:
  • October 2013–September 2023
    Biology with X-ray free electron lasers
    National Science Foundation
    Role: Co-Investigator
    $44,563,810
  • August 2019–July 2023
    High-resolution molecular recognition of ligands using solution X-ray scattering
    National Institutes of Health
    Role: Principal Investigator
    $1,333,637
  • November 2019–October 2022
    Mid-scale RI-1 (M1:DP): Compact X-ray Free-Electron Laser Project
    National Science Foundation
    Role: Contributor
    $4,765,713
  • May 2020–May 2022
    RAPID: High-resolution structure determination of Coronavirus ligands by high-throughput WAXS
    National Science Foundation
    Role: Co-Principal Investigator
    $200,000
  • May 2020–July 2021
    MRI: Acquisition of a femtosecond laser system for time-resolved studies using CXLS
    National Science Foundation
    Role: Contributor
  • August 2018–July 2021
    Light-Induced Protein Quake of Visual Rhodopsin Investigated by Femtosecond Time-Resolved X-Ray Scattering
    National Science Foundation
    Role: Co-Principal Investigator
    $800,000

Patents:
  • DENSS DENSS (DENsity from Solution Scattering) is a software program for calculating 3D density maps from solution scattering data

Journal Articles:

  • Grant TD. (2018) Ab initio electron density determination directly from solution scattering data. Nat Methods (Mar), 15(3): 191-193.
  • Thomas D. Grant. (2022) Describing small-angle scattering profiles by a limited set of intensities. Journal of Applied Crystallography (Oct), 55(5): 1116-1124. doi:10.1107/S1600576722006598
  • Nagaratnam N, Martin-Garcia JM, Yang JH, Goode MR, Ketawala G, Craciunescu FM, Zook JD, Sonowal M, Williams D, Grant TD, Fromme R, Hansen DT, Fromme P. (2022) Structural and biophysical properties of FopA, a major outer membrane protein of Francisella tularensis. PLoS One (Aug), 17(8): e0267370. doi:10.1371/journal.pone.0267370
  • Doppler D, Rabbani MT, Letrun R, Cruz Villarreal J, Kim DH, Gandhi S, Egatz-Gomez A, Sonker M, Chen J, Koua FHM, Yang J, Youssef M, Mazalova V, Bajt S, Shelby ML, Coleman MA, Wiedorn MO, Knoska J, Schön S, Sato T, Hunter MS, Hosseinizadeh A, Kuptiz C, Nazari R, Alvarez RC, Karpos K, Zaare S, Dobson Z, Discianno E, Zhang S, Zook JD, Bielecki J, de Wijn R, Round AR, Vagovic P, Kloos M, Vakili M, Ketawala GK, Stander NE, Olson TL, Morin K, Mondal J, Nguyen J, Meza-Aguilar JD, Kodis G, Vaiana S, Martin-Garcia JM, Mariani V, Schwander P, Schmidt M, Messerschmidt M, Ourmazd A, Zatsepin N, Weierstall U, Bruce BD, Mancuso AP, Grant T, Barty A, Chapman HN, Frank M, Fromme R, Spence JCH, Botha S, Fromme P, Kirian RA, Ros A. (2022) Co-flow injection for serial crystallography at X-ray free-electron lasers. Journal of applied crystallography (Feb), 55(Pt 1): 1-13. doi:10.1107/S1600576721011079
  • Ramakrishnan S, Stagno JR, Conrad CE, Ding J, Yu P, Bhandari YR, Lee YT, Pauly G, Yefanov O, Wiedorn MO, Knoska J, Oberthür D, White TA, Barty A, Mariani V, Li C, Brehm W, Heinz WF, Magidson V, Lockett S, Hunter MS, Boutet S, Zatsepin NA, Zuo X, Grant TD, Pandey S, Schmidt M, Spence JCH, Chapman HN, Wang YX. (2021) Synchronous RNA conformational changes trigger ordered phase transitions in crystals. Nature communications (Mar), 12(1): 1762. doi:10.1038/s41467-021-21838-5
  • Grant TD. (2021) Reply to: Limitations of the iterative electron density reconstruction algorithm from solution scattering data. Nature methods (Mar), 18(3): 246-248.
  • Shelby ML, Gilbile D, Grant TD, Bauer WJ, Segelke B, He W, Evans AC, Crespo N, Fischer P, Pakendorf T, Hennicke V, Hunter MS, Batyuk A, Barthelmess M, Meents A, Kuhl TL, Frank M, Coleman MA. (2020) Crystallization of ApoA1 and ApoE4 Nanolipoprotein Particles and Initial XFEL-Based Structural Studies. Crystals (Oct), 10(10): 886.
  • Echelmeier A, Cruz Villarreal J, Messerschmidt M, Kim D, Coe JD, Thifault D, Botha S, Egatz-Gomez A, Gandhi S, Brehm G, Conrad CE, Hansen DT, Madsen C, Bajt S, Meza-Aguilar JD, Obertheur D, Wiedorn MO, Fleckenstein H, Mendez D, Knoska J, Martin-Garcia JM, Hu H, Lisova S, Allahgholi A, Gevorkov Y, Ayyer K, Aplin S, Ginn HM, Graafsma H, Morgan AJ, Greiffenberg D, Klujev A, Laurus T, Poehlsen J, Trunk U, Mezza D, Schmidt B, Kuhn M, Fromme R, Sztuk-Dambietz J, Raab N, Hauf S, Silenzi A, Michelat T, Xu C, Danilevski C, Parenti A, Mekinda L, Weinhausen B, Mills G, Vagovic P, Kim Y, Kirkwood H, Bean R, Bielecki J, Stern S, Giewekemeyer K, Round AR, Schulz J, Dorner K, Grant TD, Mariani V, Barty A, Mancuso AP, Weierstall U, Spence JCH, Chapman HN, Zatsepin N, Fromme P, Kirian RA, Ros A. (2020) Segmented flow generator for serial crystallography at the European X-ray free electron laser. Nat Commun (Sep), 11(1): 4511-4511.
  • Zook J, Shekhar M, Hansen D, Conrad C, Grant T, Gupta C, White T, Barty A, Basu S, Zhao Y, Zatsepin N, Ishchenko A, Batyuk A, Gati C, Li C, Galli L, Coe J, Hunter M, Liang M, Weierstall U, Nelson G, James D, Stauch B, Craciunescu F, Thifault D, Liu W, Cherezov V, Singharoy A, Fromme P. (2020) XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia. Structure (Mar), 28(5): 540-547.
  • Shelby ML, Gilbile D, Grant TD, Seuring C, Segelke BW, He W, Evans AC, Pakendorf T, Fischer P, Hunter MS, Batyuk A, Barthelmess M, Meents A, Coleman MA, Kuhl TL, Frank M. (2020) A fixed-target platform for serial femtosecond crystallography in a hydrated environment. IUCrJ (Jan), 7(Pt 1): 30-41.
  • Gisriel C, Coe J, Letrun R, Yefanov OM, Luna-Chavez C, Stander NE, Lisova S, Mariani V, Kuhn M, Aplin S, Grant TD, Dörner K, Sato T, Echelmeier A, Cruz Villarreal J, Hunter MS, Wiedorn MO, Knoska J, Mazalova V, Roy-Chowdhury S, Yang JH, Jones A, Bean R, Bielecki J, Kim Y, Mills G, Weinhausen B, Meza JD, Al-Qudami N, Bajt S, Brehm G, Botha S, Boukhelef D, Brockhauser S, Bruce BD, Coleman MA, Danilevski C, Discianno E, Dobson Z, Fangohr H, Martin-Garcia JM, Gevorkov Y, Hauf S, Hosseinizadeh A, Januschek F, Ketawala GK, Kupitz C, Maia L, Manetti M, Messerschmidt M, Michelat T, Mondal J, Ourmazd A, Previtali G, Sarrou I, Schön S, Schwander P, Shelby ML, Silenzi A, Sztuk-Dambietz J, Szuba J, Turcato M, White TA, Wrona K, Xu C, Abdellatif MH, Zook JD, Spence JCH, Chapman HN, Barty A, Kirian RA, Frank M, Ros A, Schmidt M, Fromme R, Mancuso AP, Fromme P, Zatsepin NA. (2019) Membrane protein megahertz crystallography at the European XFEL. Nat Commun (Nov), 10(1): 5021-5021.
  • Austin Echelmeier, Daihyun Kim, Jorvani Cruz Villarreal, Jesse Coe, Sebastian Quintana, Gerrit Brehm, Ana Egatz-Gomez, Reza Nazari, Raymond G Sierra, Jason E Koglin, Alexander Batyuk, Mark S Hunter, Sébastien Boutet, Nadia Zatsepin, Richard A Kirian, Thomas D Grant, Petra Fromme, Alexandra Ros. (2019) 3D printed droplet generation devices for serial femtosecond crystallography enabled by surface coating. Journal of Applied Crystallography (Oct), 52(5).
  • Stachowski T, Grant TD, Snell EH. (2019) Structural consequences of transforming growth factor beta-1 activation from near-therapeutic X-ray doses. J Synchrotron Radiat (Jul), 26(Pt 4): 967-979.
  • Stauch B, Johansson LC, McCorvy JD, Patel N, Han GW, Huang XP, Gati C, Batyuk A, Slocum ST, Ishchenko A, Brehm W, White TA, Michaelian N, Madsen C, Zhu L, Grant TD, Grandner JM, Shiriaeva A, Olsen RHJ, Tribo AR, Yous S, Stevens RC, Weierstall U, Katritch V, Roth BL, Liu W, Cherezov V. (2019) Structural basis of ligand recognition at the human MT1 melatonin receptor. Nature (Apr).
  • Jensen SC, Sullivan B, Hartzler DA, Aguilar JM, Awel S, Bajt S, Basu S, Bean R, Chapman HN, Conrad C, Frank M, Fromme R, Martin-Garcia JM, Grant TD, Heymann M, Hunter MS, Ketawala G, Kirian RA, Knoska J, Kupitz C, Li X, Liang M, Lisova S, Mariani V, Mazalova V, Messerschmidt M, Moran M, Nelson G, Oberthür D, Schaffer A, Sierra RG, Vaughn N, Weierstall U, Wiedorn MO, Xavier PL, Yang JH, Yefanov O, Zatsepin NA, Aquila A, Fromme P, Boutet S, Seidler GT, Pushkar Y. (2019) X-ray Emission Spectroscopy at X-ray Free Electron Lasers: Limits to Observation of the Classical Spectroscopic Response for Electronic Structure Analysis. J Phys Chem Lett (Feb), 10(3): 441-446.
  • Ishigami I, Lewis-Ballester A, Echelmeier A, Brehm G, Zatsepin NA, Grant TD, Coe JD, Lisova S, Nelson G, Zhang S, Dobson ZF, Boutet S, Sierra RG, Batyuk A, Fromme P, Fromme R, Spence JCH, Ros A, Yeh SR, Rousseau DL. (2019) Snapshot of an oxygen intermediate in the catalytic reaction of cytochrome c oxidase. Proc Natl Acad Sci U S A (Feb), 116(9): 3572-3577.
  • Olmos JL, Pandey S, Martin-Garcia JM, Calvey G, Katz A, Knoska J, Kupitz C, Hunter MS, Liang M, Oberthuer D, Yefanov O, Wiedorn M, Heyman M, Holl M, Pande K, Barty A, Miller MD, Stern S, Roy-Chowdhury S, Coe J, Nagaratnam N, Zook J, Verburgt J, Norwood T, Poudyal I, Xu D, Koglin J, Seaberg MH, Zhao Y, Bajt S, Grant TD, Mariani V, Nelson G, Subramanian G, Bae E, Fromme R, Fung R, Schwander P, Frank M, White TA, Weierstall U, Zatsepin N, Spence J, Fromme P, Chapman HN, Pollack L, Tremblay L, Ourmazd A, Phillips GN, Schmidt M. (2018) Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol (Dec), 16(1): 59-59.
  • Ishigami I, Zatsepin NA, Hikita M, Conrad CE, Nelson G, Coe JD, Basu S, Grant TD, Seaberg MH, Sierra RG, Hunter MS, Fromme P, Fromme R, Yeh SR, Rousseau DL. (2017) Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature. Proc Natl Acad Sci U S A (Jul), 114(30): 8011-8016.
  • Kupitz C, Olmos JL, Holl M, Tremblay L, Pande K, Pandey S, Obertheur D, Hunter M, Liang M, Aquila A, Tenboer J, Calvey G, Katz A, Chen Y, Wiedorn MO, Knoska J, Meents A, Majriani V, Norwood T, Poudyal I, Grant TD, Miller MD, Xu W, Tolstikova A, Morgan A, Metz M, Martin-Garcia JM, Zook JD, Roy-Chowdhury S, Coe J, Nagaratnam N, Meza D, Fromme R, Basu S, Frank M, White T, Barty A, Bajt S, Yefanov O, Chapman HN, Zatsepin N, Nelson G, Weierstall U, Spence J, Schwander P, Pollack L, Fromme P, Ourmazd A, Phillips GN, Schmidt M. (2017) Structural enzymology using X-ray free electron lasers. Struct Dyn (Jul), 4(4): 044003-044003.
  • Zhang H, Qiao A, Yang D, Yang L, Dai A, de Graaf C, Reedtz-Runge S, Dharmarajan V, Zhang H, Han GW, Grant TD, Sierra RG, Weierstall U, Nelson G, Liu W, Wu Y, Ma L, Cai X, Lin G, Wu X, Geng Z, Dong Y, Song G, Griffin PR, Lau J, Cherezov V, Yang H, Hanson MA, Stevens RC, Zhao Q, Jiang H, Wang MW, Wu B. (2017) Structure of the full-length glucagon class B G-protein-coupled receptor. Nature (Jun), 546(7657): 259-264.
  • Stagno JR, Liu Y, Bhandari YR, Conrad CE, Panja S, Swain M, Fan L, Nelson G, Li C, Wendel DR, White TA, Coe JD, Wiedorn MO, Knoska J, Oberthuer D, Tuckey RA, Yu P, Dyba M, Tarasov SG, Weierstall U, Grant TD, Schwieters CD, Zhang J, Ferré-D'Amaré AR, Fromme P, Draper DE, Liang M, Hunter MS, Boutet S, Tan K, Zuo X, Ji X, Barty A, Zatsepin NA, Chapman HN, Spence JC, Woodson SA, Wang YX. (2017) Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography. Nature (Jan), 541(7636): 242-246.
  • Daniel C Bailey, Eric J Drake, Thomas D Grant, Andrew M Gulick. (2016) Structural and Functional Characterization of Aerobactin Synthetase IucA from a Hypervirulent Pathotype of Klebsiella pneumoniae. Biochemistry (Jun), 55(25): 3559-3570.
  • Pande K, Hutchison CD, Groenhof G, Aquila A, Robinson JS, Tenboer J, Basu S, Boutet S, DePonte DP, Liang M, White TA, Zatsepin NA, Yefanov O, Morozov D, Oberthuer D, Gati C, Subramanian G, James D, Zhao Y, Koralek J, Brayshaw J, Kupitz C, Conrad C, Roy-Chowdhury S, Coe JD, Metz M, Xavier PL, Grant TD, Koglin JE, Ketawala G, Fromme R, Å rajer V, Henning R, Spence JC, Ourmazd A, Schwander P, Weierstall U, Frank M, Fromme P, Barty A, Chapman HN, Moffat K, van Thor JJ, Schmidt M. (2016) Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein. Science (May), 352(6286): 725-729.
  • Lawrence RM, Conrad CE, Zatsepin NA, Grant TD, Liu H, James D, Nelson G, Subramanian G, Aquila A, Hunter MS, Liang M, Boutet S, Coe J, Spence JC, Weierstall U, Liu W, Fromme P, Cherezov V, Hogue BG. (2015) Serial femtosecond X-ray diffraction of enveloped virus microcrystals. Struct Dyn (Jul), 2(4): 041720-041720.
  • Abdallah BG, Zatsepin NA, Roy-Chowdhury S, Coe J, Conrad CE, Dörner K, Sierra RG, Stevenson HP, Camacho-Alanis F, Grant TD, Nelson G, James D, Calero G, Wachter RM, Spence JC, Weierstall U, Fromme P, Ros A. (2015) Microfluidic sorting of protein nanocrystals by size for X-ray free-electron laser diffraction. Struct Dyn (Jul), 2(4): 041719-041719.
  • Diana CF Monteiro, Vijay Patel, Christopher P Bartlett, Shingo Nozaki, Thomas D Grant, James A Gowdy, Gary S Thompson, Arnout P Kalverda, Edward H Snell, Hironori Niki, Arwen R Pearson, Michael E Webb. (2015) The structure of the PanD/PanZ protein complex reveals negative feedback regulation of pantothenate biosynthesis by coenzyme A. Chemistry & Biology (Apr), 22(4): 492-503.
  • Paolo Rossi, Lei Shi, Gaohua Liu, Christopher M Barbieri, Hsiau‐Wei Lee, Thomas D Grant, Joseph R Luft, Rong Xiao, Thomas B Acton, Edward H Snell, Gaetano T Montelione, David Baker, Oliver F Lange, Nikolaos G Sgourakis. (2015) A hybrid NMR/SAXS‐based approach for discriminating oligomeric protein interfaces using Rosetta. Proteins: Structure, Function, and Bioinformatics (Feb), 83(2): 309-317.
  • Thomas D Grant, Joseph R Luft, Lester G Carter, Tsutomu Matsui, Thomas M Weiss, Anne Martel, Edward H Snell. (2015) The accurate assessment of small-angle X-ray scattering data. Acta Crystallographica Section D: Biological Crystallography (Jan), 71(1): 45-56.
  • Tenboer J, Basu S, Zatsepin N, Pande K, Milathianaki D, Frank M, Hunter M, Boutet S, Williams GJ, Koglin JE, Oberthuer D, Heymann M, Kupitz C, Conrad C, Coe J, Roy-Chowdhury S, Weierstall U, James D, Wang D, Grant T, Barty A, Yefanov O, Scales J, Gati C, Seuring C, Srajer V, Henning R, Schwander P, Fromme R, Ourmazd A, Moffat K, Van Thor JJ, Spence JC, Fromme P, Chapman HN, Schmidt M, Grant TD. (2014) Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein. Science (Dec), 346(6214): 1242-1246.
  • Joseph R Luft, Thomas D Grant, Jennifer R Wolfley, Edward H Snell. (2014) A new view on crystal harvesting. Journal of Applied Crystallography (Jun), 47(3): 1158-1161.
  • Andrew E Bruno, Amanda M Ruby, Joseph R Luft, Thomas D Grant, Jayaraman Seetharaman, Gaetano T Montelione, John F Hunt, Edward H Snell. (2014) Comparing chemistry to outcome: the development of a chemical distance metric, coupled with clustering and hierarchal visualization applied to macromolecular crystallography. PloS One (Jun), 9(6).
  • Thomas D Grant, Joseph R Luft, Jennifer R Wolfley, Mary E Snell, Hiro Tsuruta, Stephanie Corretore, Erin Quartley, Eric M Phizicky, Elizabeth J Grayhack, Edward H Snell. (2013) The structure of yeast glutaminyl-tRNA synthetase and modeling of its interaction with tRNA. Journal of Molecular Biology (Jul), 425(14): 2480-2493.
  • Amy L Stiegler, Thomas D Grant, Joseph R Luft, David A Calderwood, Edward H Snell, Titus J Boggon. (2013) Purification and SAXS analysis of the integrin linked kinase, PINCH, parvin (IPP) heterotrimeric complex. PLoS One (Jan), 8(1).
  • Thomas D Grant, Edward H Snell, Joseph R Luft, Erin Quartley, Stephanie Corretore, Jennifer R Wolfley, M Elizabeth Snell, Andrew Hadd, John J Perona, Eric M Phizicky, Elizabeth J Grayhack. (2011) Structural conservation of an ancient tRNA sensor in eukaryotic glutaminyl-tRNA synthetase. Nucleic Acids Research (Dec), 40(8): 3723-3731.
  • Thomas D Grant, Joseph R Luft, Jennifer R Wolfley, Hiro Tsuruta, Anne Martel, Gaetano T Montelione, Edward H Snell. (2011) Small angle X‐ray scattering as a complementary tool for high‐throughput structural studies. Biopolymers (Aug), 95(8): 517-530.
See all (25 more)

Books and Book Chapters:

  • Thomas D. Grant. (2022) Reconstruction of 3D density from solution scattering. In: Methods in Enzymology: Scattering Methods for Biological Macromolecules. Elsevier; Academic Press
  • Eaton E Lattman, Thomas D Grant, Edward H Snell. (2018) Biological Small Angle Scattering: Theory and Practice. Oxford University Press.

Professional Memberships:
  • Biophysical Society (2019–present)
  • American Association for the Advancement of Science (2014–present)
  • American Crystallographic Association (2008–present)

Presentations:
  • "High-resolution structures of protein-drug complexes with solution scattering" 14th International Conference on Biology and Synchrotron Radiation (2023)
  • "Advanced SAXS data analysis: 3D reconstructions and fitting" Everything BioSAXS 9 Workshop Advanced Photon Source (2023)
  • "Solution scattering at the ASU Compact XFEL" ASU CXFEL Meeting (2022)
  • "Using DENSS for ab initio 3D density reconstructions from SAXS data" John Spence Memorial Symposium (2022)
  • "Ab initio reconstruction of shape from scattering data" 2022 ACA Workshop: Applications of Small Angle Scattering to Structural Biology (2022)
  • "Advanced SAXS data analysis: 3D reconstructions and fitting" Everything BioSAXS 8 Workshop (2022)
  • "Invited Plenary: Nucleic acid structure with 3D density reconstruction from SAXS" 4th International Webinar on Nucleic Acids and CRISPR (2022)
  • "Local to global structural transitions unveiled by femtosecond XFEL solution scattering" BioXFEL External Advisors Meeting (2022)
  • "How macromolecular structure leads to fundamental breakthroughs in biology" Guest Seminar Speaker: University of Bristol Physics Colloquium (2022)
  • "Model-free 3D density reconstructions using small angle scattering" ANSTO SAS2021 Small Angle Scattering Workshop (2021)
  • "Phase retrieval from 1D solution scattering profiles" 2021 International Phase Retrieval Workshop (2021)
  • "Invited Plenary: Model free 3D density reconstructions of soft matter using small angle scattering" Software for SAS (S4SAS) Conference, Diamond Light Source (2021)
  • "Invited Plenary: Nucleic acid structure with 3D density reconstruction from SAXS" 3rd International Webinar on Nucleic Acids and CRISPR (2021)
  • "Representing low-resolution density maps from solution scattering data" 25th Congress of the IUCr: Advances in data and model validation in SAS (2021)
  • "Using DENSS for ab initio 3D density reconstructions from SAXS data" Diamond UK Light Source BioSAXS Workshop (2021)
  • "High-resolution structure determination of Coronavirus ligands by high-throughput SWAXS" BioXFEL External Advisors Meeting (2021)
  • "Ab initio electron density determination directly from solution scattering data." 2020 SSRL/LCLS Users Meeting; SLAC; Application of Machine Learning in Structural Sciences (2020)
  • "Basic SAS Data Validation: Aggregation, radiation damage, concentration dependence and more" 2020 American Crystallographic Association Meeting; American Crystallographic Association; Applications of Small Angle Scattering to Structural Biology (2020)
  • "BioXFEL Knowledge Transfer" BioXFEL Annual NSF Site Visit; BioXFEL (2020)
  • "Time-resolved Solution Scattering of Visual Rhodopsin with a Femtosecond X-ray Laser" BioXFEL Annual NSF Site Visit; BioXFEL (2020)
  • "Ab initio electron density determination directly from solution scattering data." 64th Annual Meeting of the Biophysical Society; Biophysical Society; Platform: NMR, Diffraction, and EM (2020)
  • "Time-resolved Solution Scattering of Visual Rhodopsin with a Femtosecond X-ray Laser" 7th BioXFEL International Conference External Advisors Meeting (2020)
  • "Ab initio electron density determination directly from solution scattering data." SSRL BioSAXS 2019 Workshop; Stanford Synchrotron Radiation Lightsource (2019)
  • "DENSS: A hands-on tutorial" SSRL BioSAXS 2019 Workshop; Stanford Synchrotron Radiation Lightsource (2019)
  • "High-resolution molecular recognition of ligands using solution X-ray scattering" Guest Seminar Speaker; University at Buffalo; Department of Biomedical Engineering (2019)
  • "Ab initio electron density determination directly from solution scattering data" Computational and Experimental Techniques for Small Angle Scattering (2019)
  • "Ab initio electron density determination directly from solution scattering data." Guest Seminar Speaker; University at Buffalo; Department of Physics (2019)
  • "KEYNOTE: Ab initio electron density determination directly from solution scattering data" Frontiers in the Analysis of Intermolecular Interactions by BioSAXS (2019)
  • "Introduction to XFEL Science" BioXFEL Summer Intern Orientation (2019)
  • "BioXFEL Knowledge Transfer" BioXFEL Annual NSF Site Visit (2019)
  • "Solving the Phase Problem in Solution Scattering" CECAM simSAS 2019 Workshop (2019)
  • "DENSS: Ab initio electron density maps from biological SAXS data" SBGrid Online Webinar; SBGrid (2019)
  • "Solving the Phase Problem in Solution Scattering" 2018 International Small Angle Scattering Conference; ; Biomolecular: Complex Nucleoproteins Cellular Machines (2018)
  • "Overview of Solution Scattering Techniques for Structural Biology" HWI Structural Biology Workshop (2018)
  • "Solving the Phase Problem in Solution Scattering" 2018 Gordon Conference on Diffraction Methods in Structural Biology (2018)
  • "Solving the Phase Problem in Solution Scattering" 2018 Meeting of the American Crystallographic Association; ; Applications of Small Angle Scattering to Structural Biology Workshop (2018)
  • "Solving the Phase Problem in Solution Scattering" 2018 Meeting of the American Crystallographic Association; ; Hybrid Methods (2018)
  • "Introduction to XFEL Science" BioXFEL Summer Intern Orientation (2018)
  • "BioXFEL Knowledge Transfer" BioXFEL Annual NSF Site Visit (2018)
  • "Beyond Profiles: Envelopes and More" CHESS BioSAXS Essentials Workshop (2018)
  • "Solving the Phase Problem in Solution Scattering" CHESS BioSAXS Essentials Workshop (2018)
  • "Solving the phase problem in solution scattering" CXFEL Workshop #2: Research opportunities for structure and dynamics in biology (2018)
  • "Ab initio electron density determination directly from solution scattering data" 5th BioXFEL International Conference; ; External Advisors Meeting (2018)
  • "Live monitoring of time-resolved solution scattering data at XFELs" 5th BioXFEL International Conference (2018)
  • "Overview of unique source properties, sample delivery, time-resolved options, detectors, and more at the EuXFEL" 5th BioXFEL International Conference; ; New Opportunities at the European XFEL Workshop (2018)
  • "Ab initio electron density determination directly from solution scattering data" Buffalo Protein Science Group (2017)
  • "Ab initio electron density determination directly from solution scattering data" 26th Annual Buffalo-Hamilton-Toronto Symposium (2017)
  • "Ab initio electron density determination directly from solution scattering data" 75th Annual Pittsburgh Diffraction Conference (2017)
  • "Overview of Solution Scattering Techniques for Structural Biology" HWI Structural Biology Workshop (2017)
  • "Introduction to XFEL Science" BioXFEL Summer Intern Orientation (2017)
  • "Beyond Profiles: Envelopes and More" CHESS BioSAXS Essentials Workshop (2017)
  • "BioXFEL Knowledge Transfer" BioXFEL Annual NSF Site Visit (2017)
  • "Time-resolved SAXS, modeling and complementary methods" CHESS BioSAXS Essentials Workshop (2017)
  • "Live monitoring of time-resolved solution scattering data at XFELs" 4th BioXFEL International Conference (2017)
  • "The determination of electron density directly from solution scattering data" 4th BioXFEL International Conference (2017)
  • "Data Reduction at LCLS with Cheetah" 2016 Meeting of the American Crystallographic Association; ; Serial Crystallography Data Analysis Workshop (2016)
  • "Lectures and Hands-on Tutorials Describing XFEL Data Reduction and Analysis" 2016 Meeting of the American Crystallographic Association; ; Serial Crystallography Data Analysis Workshop (2016)
  • "BioXFEL Knowledge Transfer" BioXFEL Annual NSF Site Visit (2016)
  • "Introduction to XFEL Science" BioXFEL Summer Intern Orientation (2016)
  • "Overview of Industrial Applications of Solution Scattering at XFELs" XFEL Lightsources and Applications for Industry Workshop (2016)
  • "Beyond Profiles: Envelopes and More" CHESS BioSAXS Essentials Workshop (2016)
  • "Time-resolved SAXS, modeling and complementary methods" CHESS BioSAXS Essentials Workshop (2016)
  • "Ab initio modeling of time-resolved difference scattering profiles at XFELs" 3rd BioXFEL International Conference (2016)
  • "Data Reduction at LCLS with Cheetah" 2015 Meeting of the American Crystallographic Association; ; Serial Crystallography Data Analysis Workshop (2015)
  • "Lectures and Hands-on Tutorials Describing XFEL Data Reduction and Analysis" 2015 Meeting of the American Crystallographic Association; ; Serial Crystallography Data Analysis Workshop (2015)
  • "BioXFEL Knowledge Transfer" BioXFEL Annual NSF Site Visit (2015)
  • "HWI Crystallization Workshop" HWI Crystallization Workshop (2015)
  • "Introduction to XFEL Science" BioXFEL Summer Intern Orientation (2015)
  • "Practical Considerations for Crystallographic Data Analysis" HWI Crystallization Workshop (2015)
  • "The accurate assessment of small angle scattering data" 2nd BioXFEL International Conference (2015)
  • "SAXS Part II: Advanced Applications of Biological Small Angle Scattering" SBGrid Online Webinar; SBGrid (2014)
  • "Intro to BioSAXS Modeling" CHESS BioSAXS Essentials Workshop (2014)
  • "Lectures and Hands-on Tutorials Describing XFEL Data Reduction and Analysis" Serial Crystallography Data Analysis Workshop (2014)
  • "The accurate assessment of small angle scattering data" 2014 Gordon Research Conference on Diffraction Methods in Structural Biology (2014)
  • "Introduction to XFEL Science" BioXFEL Summer Intern Orientation (2014)
  • "The Structure and Dynamics of the Appended Domain of Eukaryotic Gln-tRNA Synthetase" 2014 Meeting of the American Crystallographic Association (2014)
  • "Applications of SAXS to a High-throughput Structural Pipeline" Guest Seminar Speaker; Arizona State University (2014)
  • "SAXS Part I: Introduction to Biological Small Angle Scattering" SBGrid Online Webinar; SBGrid (2014)
  • "Understanding the Structure and Dynamics of Eukaryotic Glutaminyl-tRNA Synthetase" CASIS Protein Crystal Growth Summit 2013 (2013)
  • "Understanding the Structure and Dynamics of Eukaryotic Glutaminyl-tRNA Synthetase" 71st Annual Pittsburgh Diffraction Conference (2013)
  • "Understanding the Structure and Dynamics of Eukaryotic Glutaminyl-tRNA Synthetase" The Many Lives of RNA Research Symposium (2013)
  • "Understanding the Structure and Dynamics of Eukaryotic Glutaminyl-tRNA Synthetase" 2013 Advanced Light Source Users Meeting (2013)
  • "Understanding the Structure and Dynamics of Eukaryotic Glutaminyl-tRNA Synthetase" 71st Annual Pittsburgh Diffraction Conference; ; Sidhu Awardee Lecture (2013)
  • "High-throughput SAXS: Overcoming Practical Limitations Through Statistics" Northeast Structural Genomics Consortium Annual Retreat (2013)
  • "Intro to BioSAXS Modeling" CHESS BioSAXS Essentials Workshop (2013)
  • "Understanding the Structure and Dynamics of Eukaryotic Glutaminyl-tRNA Synthetase" 70th Annual Pittsburgh Diffraction Conference (2012)
  • "Understanding the Structure and Dynamics of Eukaryotic Glutaminyl-tRNA Synthetase" Biodynamics@Buffalo (2012)
  • "High-Throughput SAXS: Pitfalls and Payoffs" Rigaku BioSAXS Workshop; Rigaku Americas Corporation (2012)
  • "High-Throughput SAXS: Pitfalls and Payoffs" CHESS BioSAXS Essentials Workshop (2012)
  • "Small Angle X-ray Scattering as a Complementary Tool for High-Throughput Structural Studies" XDL 2011 Hard X-ray Diffraction Workshop (2011)
  • "High-Throughput SAXS: Pitfalls and Payoffs" CHESS BioSAXS Essentials Workshop (2011)
  • "High-Throughput SAXS: Pitfalls and Payoffs" Guest Seminar Speaker; Astbury Centre for Structural Molecular Biology (2011)
  • "Small Angle X-ray Scattering as a Complementary Tool for High-Throughput Structural Studies" 2011 Meeting of the American Crystallographic Association (2011)
  • "Small Angle X-ray Scattering as a Complementary Tool for High-Throughput Structural Studies" 2011 Meeting of the American Crystallographic Association; ; Margaret C. Etter Student Lecture (2011)
  • "Dr. Hauptman’s Legacy" 25th Anniversary Celebration of Dr. Herbert Hauptman’s Nobel Prize (2011)
  • "High-Throughput SAXS: Pitfalls and Payoffs" Rigaku BioSAXS Workshop; Rigaku Americas Corporation (2011)
  • "High-Throughput SAXS: Pitfalls and Payoffs" CHESS BioSAXS Essentials Workshop (2011)
  • "High-Throughput SAXS: Pitfalls and Payoffs" Rigaku BioSAXS Workshop; Rigaku Americas Corporation (2011)
  • "Structural Information from 77% of Targets: High-Throughput SAXS as a Complementary Component to a Structural Pipeline" 2010 Methods in Structural Biology and Biophysics Symposium (2010)
  • "Structural Information from 77% of Targets: High-Throughput SAXS as a Complementary Component to a Structural Pipeline" 13th International Conference on the Crystallization of Biological Macromolecules (2010)
  • "Structural Information from 77% of Targets: High-Throughput SAXS as a Complementary Component to a Structural Pipeline" 2010 NIGMS Workshop: Enabling Technologies in Structure and Function (2010)
  • "Probing the Dynamics of the tRNA Synthetase Gln4 Using Small Angle X-ray Scattering" 18th Annual Buffalo-Hamilton-Toronto Symposium (2009)
  • "Probing the Dynamics of the tRNA Synthetase Gln4 Using Small Angle X-ray Scattering" 67th Annual Pittsburgh Diffraction Conference (2009)
  • "Probing the Dynamics of the tRNA Synthetase Gln4 Using Small Angle X-ray Scattering" 11th Annual Upstate New York NMR Symposium (2009)
See all (94 more)

Service Activities:
  • Faculty Search Committee; Faculty Search Committee (2022–present)
  • Committee to review Presidential and Schomburg Fellowship distributions to each of the decanal units at UB through the Graduate School. These prestigious awards help to recruit the highest level students to UB’s graduate programs.; Member of Graduate Fellowship Faculty Committee (2022–present)
  • Session Chair: Time-resolved Structural Dynamics at the 2022 ACA Annual Conference; Session Chair (2022)
  • BioXFEL Summer Internship Orientation Lecturer; Guest Lecturer (2022)
  • Peer-reviewer for Structural Dynamics; Reviewer (2022–present)
  • Committee member for Jitendra Singh, PhD student; Graduate Student Committee Member (2022)
  • Novo Nordisk Foundation; Research Infrastructure: Large Equipment and Facilities in Biomedicine and;; Grant Reviewer (2022)
  • Jacobs School Research Growth Opportunities discussion; Member (2022)
  • Committee member for Fardin Ahmed, PhD student; Graduate Student Committee Member (2022)
  • Chair: Small Angle Scattering Special Interest Group of the American Crystallographic Association; Chair (2022)
  • Committee member for Monica MacDonald, PhD student.; Graduate Student Committee Member (2022)
  • Committee member for Stephen Moore, PhD student; Graduate Student Committee Member (2021–2022)
  • Chair of Nucleic Acid Structure and Function session of the 3rd International Conference on Nucleic Acids and CRISPR; Session Chair (2021)
  • Chair for 9th BioXFEL International Conference; Conference Chair (2021–2022)
  • Committee member for Nicholas Clark, PhD student; Graduate Student Committee Member (2021–2022)
  • Chair: Small Angle Scattering Special Interest Group, American Crystallographic Association; Chair (2020–present)
  • IUCrJ Journal Referee; Peer Reviewer (2020–present)
  • PPBS Admissions Committee. Review all PPBS applicants, discuss in committee, and select candidates.; Member (2020–present)
  • Session Chair: Frontiers in SAS, 2020 Meeting of the American Crystallographic Association; Chair (2020)
  • BioXFEL Summer Internship Orientation Lecturer; Guest Lecturer (2020)
  • Physical Review Applied Journal Referee; Peer Reviewer (2019–present)
  • Novo Nordisk Foundation; Research Infrastructure: Large Equipment and Facilities in Biomedicine and;; Grant Reviewer (2019)
  • BioXFEL Summer Internship Orientation Lecturer; Guest Lecturer (2019)
  • NSF; NSF MRI 2; Major Research Instrumentation;; Panel Member (2019)
  • Structural Dynamics Journal Referee; Peer Reviewer (2019–present)
  • Acta Crystallographica Section D: Structural Biology Journal Referee; Peer Reviewer (2019–present)
  • Session Chair: Biomolecular Methods II, SAS2018 International Small Angle Scattering Conference; Chair (2018)
  • Faculty Council; Alternate Member (2018–present)
  • BioXFEL Summer Internship Orientation Lecturer; Guest Lecturer (2018)
  • BioXFEL 6th International Conference Organizing Committee Selecting speakers, designing agenda, etc for the 2019 BioXFEL Conference.; Organizing Committee Member (2018–2019)
  • Nature Scientific Reports Journal Referee; Peer Reviewer (2018–present)
  • New Opportunities at the European XFEL Workshop Organizer; Co-Chair (2018)
  • BioXFEL Summer Internship Orientation Lecturer; Guest Lecturer (2017)
  • Serial Crystallography Data Analysis Workshop Organizer and Lecturer; Co-Chair (2016)
  • BioXFEL Summer Internship Orientation Lecturer; Guest Lecturer (2016)
  • Session Chair: Beyond Crystals II, BioXFEL 3rd Annual Conference; Chair (2016)
  • BioXFEL Annual Meeting Poster Blitz Organizer; Chair (2016–present)
  • BioXFEL Annual Conference Poster Judge; Judge (2016–present)
  • Journal of Applied Crystallography Referee; Peer Reviewer (2016–present)
  • Serial Crystallography Data Analysis Workshop Organizer and Lecturer; Co-Chair (2015)
  • BioXFEL Summer Internship Orientation Lecturer; Guest Lecturer (2015)
  • BioXFEL Knowledge Transfer. I write the annual Knowledge Transfer report for the BioXFEL STC led by UB. I present the Knowledge and Technology Transfer efforts to the annual NSF Site Review committee. This includes all scientific publications and presentations by BioXFEL members in all 8 institutions, collecting all information on patents among member institutions supported by BioXFEL research, collecting all information on public and government-related activities for the Center.; Member (2015–present)
  • BMC Structural Biology Journal Referee; Peer Reviewer (2015–present)
  • CHESS Beamtime Proposal Reviewer; Reviewer (2015–present)
  • Serial Crystallography Data Analysis Workshop Organizer and Lecturer; Co-Chair (2014)
  • BioXFEL Summer Internship Orientation Lecturer; Guest Lecturer (2014)
  • BioXFEL Education and Diversity Committee This committee governs all aspects of the education and diversity programs in the BioXFEL Center.; Member (2014–present)
  • BioXFEL Education and Diversity Committee. Create educational programs for BioXFEL (NSF STC led by UB) students, postdocs and young scientists. Design and implement diversity initiatives in BioXFEL for all member institutions including significant efforts with the University at Puerto Rico campuses, and HBCUs.; Member (2014–present)

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Room 5156
Buffalo, New York 14203
Phone: 7168295490
tdgrant@buffalo.edu
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