Richard A. Friesner - researchr alias

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Viewing Publication 1 - 20 from 20

2023

Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy CalculationsWei Chen, Di Cui, Steven V. Jerome, Mayako Michino, Eelke B. Lenselink, David J. Huggins, Alexandre Beautrait, Jeremie Vendome, Robert Abel, Richard A. Friesner, Lingle Wang. jcisd, 63(10):3171-3185, May 2023. [doi]

2021

Pseudospectral implementations of long-range corrected density functional theoryYixiang X. Cao, Mathew D. Halls, Tati Reddy Vadicherla, Richard A. Friesner. jcc, 42(29):2089-2102, 2021. [doi]

2016

Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large moleculesYixiang X. Cao, Thomas Hughes, Dave Giesen, Mathew D. Halls, Alexander Goldberg, Tati Reddy Vadicherla, G. Madhavi Sastry, Bhargav Patel, Woody Sherman, Andrew L. Weisman, Richard A. Friesner. jcc, 37(16):1425-1441, 2016. [doi]

2015

Accurate Binding Free Energy Predictions in Fragment OptimizationThomas B. Steinbrecher, Markus K. Dahlgren, Daniel Cappel, Teng Lin, Lingle Wang, Goran Krilov, Robert Abel, Richard A. Friesner, Woody Sherman. jcisd, 55(11):2411-2420, 2015. [doi]

2012

Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glideMatthew P. Repasky, Robert B. Murphy, Jay L. Banks, Jeremy R. Greenwood, Ivan Tubert-Brohman, Sathesh Bhat, Richard A. Friesner. jcamd, 26(6):787-799, 2012. [doi]

2010

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive ConformersK. Shawn Watts, Pranav Dalal, Robert B. Murphy, Woody Sherman, Richard A. Friesner, John C. Shelley. jcisd, 50(4):534-546, 2010. [doi]

2007

Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant TargetsZhiyong Zhou, Anthony K. Felts, Richard A. Friesner, Ronald M. Levy. jcisd, 47(4):1599-1608, 2007. [doi]

2006

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary resultsSteven L. Dixon, Alexander M. Smondyrev, Eric H. Knoll, Shashidhar N. Rao, David E. Shaw, Richard A. Friesner. jcamd, 20(10-11):647-671, 2006. [doi]

What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomoleculesZhiyun Yu, Matthew P. Jacobson, Richard A. Friesner. jcc, 27(1):72-89, 2006. [doi]

2005

2002

Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase testsGeorge A. Kaminski, Harry A. Stern, Bruce J. Berne, Richard A. Friesner, Yixiang X. Cao, Robert B. Murphy, Ruhong Zhou, Thomas A. Halgren. jcc, 23(16):1515-1531, 2002. [doi]

2001

Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulationsLinda Yu Zhang, Emilio Gallicchio, Richard A. Friesner, Ronald M. Levy. jcc, 22(6):591-607, 2001. [doi]

2000

A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environmentsRobert B. Murphy, Dean M. Philipp, Richard A. Friesner. jcc, 21(16):1442-1457, 2000. [doi]

1999

Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptideDean M. Philipp, Richard A. Friesner. jcc, 20(14):1468-1494, 1999. [doi]

1998

Parallel pseudospectral electronic structure: II. Localized Møller-Plesset calculationsMichael D. Beachy, David Chasman, Richard A. Friesner, Robert B. Murphy. jcc, 19(9):1030-1038, 1998. [doi]

Parallel pseudospectral electronic structure: I. Hartree-Fock calculationsDavid Chasman, Michael D. Beachy, Limin Wang, Richard A. Friesner. jcc, 19(9):1017-1029, 1998. [doi]

1997

Numerical solution of the Poisson-Boltzmann equation using tetrahedral finite-element meshesChristian M. Cortis, Richard A. Friesner. jcc, 18(13):1591-1608, 1997. [doi]

An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equationChristian M. Cortis, Richard A. Friesner. jcc, 18(13):1570-1590, 1997. [doi]

1996

Parallel implementation of a protein structure refinement algorithmJohn R. Gunn, Richard A. Friesner. jcc, 17(10):1217-1228, 1996. [doi]

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