Skip to Main Content

Author Details

Robert V Swift
University of California San Diego
2007
21
13
Christopher Churas (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
31257108Continuous Evaluation of Ligand Protein Predictions: A Weekly Community Challenge for Drug Docking.Structure2019
27043429Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds.J Chem Inf Model2016
27662181Enhancing Virtual Screening Performance of Protein Kinases with Molecular Dynamics Simulations.J Chem Inf Model2016
27097522Knowledge-Based Methods To Train and Optimize Virtual Screening Ensembles.J Chem Inf Model2016
25330975Molecular docking to flexible targets.Methods Mol Biol2015
24490002Computation-guided discovery of influenza endonuclease inhibitors.ACS Med Chem Lett2014
29399238Progress towards automated Kepler scientific workflows for computer-aided drug discovery and molecular simulations.Procedia Comput Sci2014
23066853Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR?Chem Biol Drug Des2013
22872804Variable ligand- and receptor-binding hot spots in key strains of influenza neuraminidase.J Mol Genet Med2012
23205906Magnesium-induced nucleophile activation in the guanylyltransferase mRNA capping enzyme.Biochemistry2012
23110535Rational prediction with molecular dynamics for hit identification.Curr Top Med Chem2012
21750542Mechanism of 150-cavity formation in influenza neuraminidase.Nat Commun2011
22042376Modeling the pharmacodynamics of passive membrane permeability.J Comput Aided Mol Des2011
21966419Biochemical, structural and molecular dynamics analyses of the potential virulence factor RipA from Yersinia pestis.PLoS One2011
20808768Novel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1.PLoS Negl Trop Dis2010
19301911Substrate induced population shifts and stochastic gating in the PBCV-1 mRNA capping enzyme.J Am Chem Soc2009
20354588Discovery and design of DNA and RNA ligase inhibitors in infectious microorganisms.Expert Opin Drug Discov2009
19421994Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics.J Comput Chem2009
19133737Toward understanding the conformational dynamics of RNA ligation.Biochemistry2009
18330997Catalytically requisite conformational dynamics in the mRNA-capping enzyme probed by targeted molecular dynamics.Biochemistry2008
18060084Functional and structural insights revealed by molecular dynamics simulations of an essential RNA editing ligase in Trypanosoma brucei.PLoS Negl Trop Dis2007
  • 1 - 21 of 21

Recommended Authors

Neil J Bruce
Heidelberg Institute for Theoretical Studies (HITS)
Career Start Year 2010
Number of shared co-authors 0
Ignacia Echeverria
University of California san francisco
Career Start Year 2010
Number of shared co-authors 1
Massimiliano Bonomi
Institut Pasteur, Universite Paris Cite, CNRS UMR 8
Career Start Year 2007
Number of shared co-authors 0
Barak Raveh
The Hebrew University of Jerusalem
Career Start Year 2007
Number of shared co-authors 0
James S Fraser
University of California san francisco
Career Start Year 2006
Number of shared co-authors 0
Elisabetta Moroni
Istituto di Scienze e Tecnologie Chimiche "Giulio Natta" - SCITEC CNR
Career Start Year 2005
Number of shared co-authors 0
Henry van den Bedem
University of California San Francisco
Career Start Year 2002
Number of shared co-authors 0
Ivaylo Ivanov
Georgia State University, GA 30302 USA Center for Diagnostics and Therapeutics
Career Start Year 2002
Number of shared co-authors 1
Peter L Freddolino
University of Michigan ann arbor
Career Start Year 2002
Number of shared co-authors 0
Matteo Dal Peraro
Institute of Bioengineering
Career Start Year 2001
Number of shared co-authors 2
Hao Fan
College of Biotechnology and Bioengineering, Zhejiang University of Technology
Career Start Year 2001
Number of shared co-authors 1
David E Shaw
Columbia University
Career Start Year 2000
Number of shared co-authors 0
Heather A Carlson
University of Michigan ann arbor
Career Start Year 1999
Number of shared co-authors 6
Matthew P Jacobson
Department of Pharmaceutical Chemistry, University of California san francisco
Career Start Year 1999
Number of shared co-authors 1
Michael Feig
Michigan State University
Career Start Year 1998
Number of shared co-authors 0
Nikolay V Dokholyan
Pennsylvania State University College of Medicine
Career Start Year 1998
Number of shared co-authors 1
Dmitri Beglov
Boston University
Career Start Year 1997
Number of shared co-authors 0
Ivet Bahar
Laufer Center for Physical and Quantitative Biology, Stony Brook University
Career Start Year 1994
Number of shared co-authors 1
Tanja Kortemme
University of California san francisco
Career Start Year 1993
Number of shared co-authors 1
Giorgio Colombo
Fondazione IRCCS Ca' Granda Ospedale Maggiore Policlinico
Career Start Year 1993
Number of shared co-authors 0
Huan-Xiang Zhou
University of Illinois Chicago
Career Start Year 1993
Number of shared co-authors 1
Carlos J Camacho
University of Pittsburgh
Career Start Year 1990
Number of shared co-authors 0
Rebecca C Wade
Center for Molecular Biology (ZMBH), Heidelberg University
Career Start Year 1989
Number of shared co-authors 0
David Baker
University of Washington
Career Start Year 1988
Number of shared co-authors 2
Herman W T van Vlijmen
Leiden Academic Centre for Drug Research (LACDR), Leiden University
Career Start Year 1988
Number of shared co-authors 0
Sandor Vajda
Boston University
Career Start Year 1982
Number of shared co-authors 2
Ruben Abagyan
Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California
Career Start Year 1981
Number of shared co-authors 1
Charles L Brooks
University of Michigan ann arbor
Career Start Year 1974
Number of shared co-authors 0
Ron Elber
Institute for Computational Engineering and Science, University of Texas at Austin
Career Start Year 1969
Number of shared co-authors 0
Jens Meiler
Vanderbilt University
Career Start Year 1954
Number of shared co-authors 1

Collaborators

Rommie E Amaro
University of California
Co-authored papers 18
James Andrew McCammon
Co-authored papers 5
Victoria A Feher
University of California San Diego
Co-authored papers 3
Jacob D Durrant
University of Pittsburgh
Co-authored papers 2
Stephen K Burley
The State University of New Jersey
Co-authored papers 1
Ilkay Altintas
Halicioglu Data Science Institute, University of California San Diego
Co-authored papers 1
Chenghua Shao
The State University of New Jersey
Co-authored papers 1
James C Gumbart
Georgia Institute of Technology
Co-authored papers 1
Michael K Gilson
University of California
Co-authored papers 1
Christopher Churas (CM4AI)
University of California San Diego
Co-authored papers 1
Shuai Liu
XtalPi Inc.
Co-authored papers 1
Jeffrey R Wagner
Kaiser Permanente San Francisco Medical Center
Co-authored papers 1
Michael Chiu
University of California
Co-authored papers 1
Gen-Sheng Feng
Co-authored papers 1
Release 1.2