Robert V. Swift
Robert V. Swift
Relay Therapeutics
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Mechanism of 150-cavity formation in influenza neuraminidase
RE Amaro, RV Swift, L Votapka, WW Li, RC Walker, RM Bush
Nature communications 2 (1), 1-7, 2011
Simulation-based approaches for determining membrane permeability of small compounds
CT Lee, J Comer, C Herndon, N Leung, A Pavlova, RV Swift, C Tung, ...
Journal of chemical information and modeling 56 (4), 721-733, 2016
Novel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1
JD Durrant, L Hall, RV Swift, M Landon, A Schnaufer, RE Amaro
PLoS Negl Trop Dis 4 (8), e803, 2010
Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR?
RV Swift, RE Amaro
Chemical biology & drug design 81 (1), 61-71, 2013
Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics
M Fajer, RV Swift, JA McCammon
Journal of computational chemistry 30 (11), 1719-1725, 2009
Computation-guided discovery of influenza endonuclease inhibitors
E Chen, RV Swift, N Alderson, VA Feher, GS Feng, RE Amaro
ACS medicinal chemistry letters 5 (1), 61-64, 2014
Rational prediction with molecular dynamics for hit identification
S E Nichols, R V Swift, R E Amaro
Current topics in medicinal chemistry 12 (18), 2002-2012, 2012
Substrate induced population shifts and stochastic gating in the PBCV-1 mRNA capping enzyme
RV Swift, JA McCammon
Journal of the American Chemical Society 131 (14), 5126-5133, 2009
Functional and structural insights revealed by molecular dynamics simulations of an essential RNA editing ligase in Trypanosoma brucei
RE Amaro, RV Swift, JA McCammon
PLoS Negl Trop Dis 1 (2), e68, 2007
Catalytically requisite conformational dynamics in the mRNA-capping enzyme probed by targeted molecular dynamics
RV Swift, JA McCammon
Biochemistry 47 (13), 4102-4111, 2008
Biochemical, structural and molecular dynamics analyses of the potential virulence factor RipA from Yersinia pestis
R Torres, RV Swift, N Chim, N Wheatley, B Lan, BR Atwood, C Pujol, ...
PLoS One 6 (9), e25084, 2011
Molecular docking to flexible targets
J Sørensen, Ö Demir, RV Swift, VA Feher, RE Amaro
Molecular Modeling of Proteins, 445-469, 2015
Modeling the pharmacodynamics of passive membrane permeability
RV Swift, RE Amaro
Journal of computer-aided molecular design 25 (11), 1007-1017, 2011
Discovery and design of DNA and RNA ligase inhibitors in infectious microorganisms
RV Swift, RE Amaro
Expert opinion on drug discovery 4 (12), 1281-1294, 2009
Toward understanding the conformational dynamics of RNA ligation
RV Swift, J Durrant, RE Amaro, JA McCammon
Biochemistry 48 (4), 709-719, 2009
Enhancing virtual screening performance of protein kinases with molecular dynamics simulations
TL Offutt, RV Swift, RE Amaro
Journal of chemical information and modeling 56 (10), 1923-1935, 2016
Knowledge-based methods to train and optimize virtual screening ensembles
RV Swift, SA Jusoh, TL Offutt, ES Li, RE Amaro
Journal of chemical information and modeling 56 (5), 830-842, 2016
Magnesium-induced nucleophile activation in the guanylyltransferase mRNA capping enzyme
RV Swift, CD Ong, RE Amaro
Biochemistry 51 (51), 10236-10243, 2012
Progress towards automated Kepler scientific workflows for computer-aided drug discovery and molecular simulations
PU Ieong, J Sørensen, PL Vemu, CW Wong, Ö Demir, NP Williams, ...
Procedia computer science 29, 1745-1755, 2014
Continuous Evaluation of Ligand Protein Predictions: A Weekly Community Challenge for Drug Docking
JR Wagner, CP Churas, S Liu, RV Swift, M Chiu, C Shao, VA Feher, ...
Structure 27 (8), 1326-1335. e4, 2019
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