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Brian K. Shoichet, Ph.D.

1996-2002 Chemistry Northwestern University, Evanston, IL 
 2002- Chemistry University of California, San Francisco, San Francisco, CA 
GPCR, computational chemistry
"Brian Kenton Shoichet"

Mean distance: 8.73


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Irwin D. Tack Kuntz grad student 1991 UCSF
 (Molecular Docking: Theory and Application to Recognition and Inhibitor Design.)
Brian W. Matthews post-doc University of Oregon


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Andrew I. Su research assistant 1996-1998 Northwestern University Medical School
David M. Lorber grad student 2001 Northwestern
Beth M. Beadle grad student 2002 Northwestern
Rachel A. Powers grad student 2002 Northwestern
Susan L. McGovern grad student 2003 Northwestern
Binqing Wei grad student 2003 Northwestern
Brian Y. Feng grad student 2007 UCSF
Alan P. Graves grad student 2007 UCSF
Kristin Emily Coan grad student 2008 UCSF
Sarah E. Boyce grad student 2009 UCSF
Michael J. Keiser grad student 2009 UCSF
Veena L. Thomas grad student 2009 UCSF
Rafaela S. Ferreira grad student 2010 UCSF
Michael M. Mysinger grad student 2012 UCSF
Gabriel J. Rocklin grad student 2013 UCSF
Jens Carlsson post-doc UCSF
Niu Huang post-doc
Marcus Fischer post-doc 2011- UCSF
Sarah Barelier post-doc 2013- UCSF
Anat Levit post-doc 2013- UCSF
Trent Balius post-doc 2014- UCSF
James R. Horn post-doc 2002-2003 Northwestern
Peter Kolb post-doc 2007-2011 UCSF
Matthew J. O'Meara post-doc 2013-2019 University of California San Francisco and Gladstone Institutes (Computer Science Tree)
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Smith ST, Cassada JB, Von Bredow L, et al. (2024) Discovery of Protease-Activated Receptor 4 (PAR4)-Tethered Ligand Antagonists Using Ultralarge Virtual Screening. Acs Pharmacology & Translational Science. 7: 1086-1100
Smith MS, Knight IS, Kormos RC, et al. (2024) Docking for Molecules That Bind in a Symmetric Stack with SymDOCK. Journal of Chemical Information and Modeling
Liu F, Wu CG, Tu CL, et al. (2023) Structure-based discovery of positive allosteric modulators for the calcium sensing receptor. Biorxiv : the Preprint Server For Biology
Lyu J, Kapolka N, Gumpper R, et al. (2023) AlphaFold2 structures template ligand discovery. Biorxiv : the Preprint Server For Biology
Smith MS, Knight IS, Kormos RC, et al. (2023) Docking for molecules that bind in a symmetric stack with SymDOCK. Biorxiv : the Preprint Server For Biology
Gahbauer S, Correy GJ, Schuller M, et al. (2023) Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proceedings of the National Academy of Sciences of the United States of America. 120: e2212931120
Fink EA, Xu J, Hübner H, et al. (2022) Structure-based discovery of nonopioid analgesics acting through the α-adrenergic receptor. Science (New York, N.Y.). 377: eabn7065
Gahbauer S, Correy GJ, Schuller M, et al. (2022) Structure-based inhibitor optimization for the Nsp3 Macrodomain of SARS-CoV-2. Biorxiv : the Preprint Server For Biology
Bender BJ, Gahbauer S, Luttens A, et al. (2021) Publisher Correction: A practical guide to large-scale docking. Nature Protocols
Alon A, Lyu J, Braz JM, et al. (2021) Structures of the σ receptor enable docking for bioactive ligand discovery. Nature
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