Robert C. Rizzo
Robert C. Rizzo
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Cited by
Cited by
DOCK 6: Combining techniques to model RNA–small molecule complexes
PT Lang, SR Brozell, S Mukherjee, EF Pettersen, EC Meng, V Thomas, ...
Rna 15 (6), 1219-1230, 2009
OPLS all-atom model for amines: resolution of the amine hydration problem
RC Rizzo, WL Jorgensen
Journal of the American chemical society 121 (20), 4827-4836, 1999
DOCK 6: Impact of new features and current docking performance
WJ Allen, TE Balius, S Mukherjee, SR Brozell, DT Moustakas, PT Lang, ...
Journal of computational chemistry 36 (15), 1132-1156, 2015
Development and validation of a modular, extensible docking program: DOCK 5
DT Moustakas, PT Lang, S Pegg, E Pettersen, ID Kuntz, N Brooijmans, ...
Journal of computer-aided molecular design 20, 601-619, 2006
HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations
V Hornak, A Okur, RC Rizzo, C Simmerling
Proceedings of the National Academy of Sciences 103 (4), 915-920, 2006
Estimation of absolute free energies of hydration using continuum methods: accuracy of partial charge models and optimization of nonpolar contributions
RC Rizzo, T Aynechi, DA Case, ID Kuntz
Journal of Chemical Theory and Computation 2 (1), 128-139, 2006
Docking validation resources: protein family and ligand flexibility experiments
S Mukherjee, TE Balius, RC Rizzo
Journal of chemical information and modeling 50 (11), 1986-2000, 2010
Evaluation of DOCK 6 as a pose generation and database enrichment tool
SR Brozell, S Mukherjee, TE Balius, DR Roe, DA Case, RC Rizzo
Journal of computer-aided molecular design 26, 749-773, 2012
Targeting fatty acid binding protein (FABP) anandamide transporters–a novel strategy for development of anti-inflammatory and anti-nociceptive drugs
WT Berger, BP Ralph, M Kaczocha, J Sun, TE Balius, RC Rizzo, ...
PloS one 7 (12), e50968, 2012
New linear interaction method for binding affinity calculations using a continuum solvent model
R Zhou, RA Friesner, A Ghosh, RC Rizzo, WL Jorgensen, RM Levy
The Journal of Physical Chemistry B 105 (42), 10388-10397, 2001
Inhibition of fatty acid binding proteins elevates brain anandamide levels and produces analgesia
M Kaczocha, MJ Rebecchi, BP Ralph, YHG Teng, WT Berger, W Galbavy, ...
PloS one 9 (4), e94200, 2014
Small-molecule anticancer compounds selectively target the hemopexin domain of matrix metalloproteinase-9
A Dufour, NS Sampson, J Li, C Kuscu, RC Rizzo, JL DeLeon, J Zhi, ...
Cancer research 71 (14), 4977-4988, 2011
HIV-1 protease flaps spontaneously close to the correct structure in simulations following manual placement of an inhibitor into the open state
V Hornak, A Okur, RC Rizzo, C Simmerling
Journal of the American Chemical Society 128 (9), 2812-2813, 2006
Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations
RC Rizzo, J Tirado-Rives, WL Jorgensen
Journal of medicinal chemistry 44 (2), 145-154, 2001
Prediction of activity for nonnucleoside inhibitors with HIV-1 reverse transcriptase based on Monte Carlo simulations
RC Rizzo, M Udier-Blagović, DP Wang, EK Watkins, MB Kroeger Smith, ...
Journal of medicinal chemistry 45 (14), 2970-2987, 2002
Implementation of the Hungarian algorithm to account for ligand symmetry and similarity in structure-based design
WJ Allen, RC Rizzo
Journal of chemical information and modeling 54 (2), 518-529, 2014
A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics simulations
RC Rizzo, S Toba, ID Kuntz
Journal of medicinal chemistry 47 (12), 3065-3074, 2004
Implementation and evaluation of a docking‐rescoring method using molecular footprint comparisons
TE Balius, S Mukherjee, RC Rizzo
Journal of computational chemistry 32 (10), 2273-2289, 2011
Origins of resistance conferred by the R292K neuraminidase mutation via molecular dynamics and free energy calculations
R Chachra, RC Rizzo
Journal of Chemical Theory and Computation 4 (9), 1526-1540, 2008
Quantitative prediction of fold resistance for inhibitors of EGFR
TE Balius, RC Rizzo
Biochemistry 48 (35), 8435-8448, 2009
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