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Richard A. Friesner
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2020 – today
- 2023
- [j21]Wei Chen, Di Cui, Steven V. Jerome
, Mayako Michino
Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations. J. Chem. Inf. Model. 63(10): 3171-3185 (2023) - 2021
- [j20]Yixiang X. Cao
Pseudospectral implementations of long-range corrected density functional theory. J. Comput. Chem. 42(29): 2089-2102 (2021)
2010 – 2019
- 2016
- [j19]Yixiang X. Cao, Thomas Hughes, Dave Giesen, Mathew D. Halls
Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules. J. Comput. Chem. 37(16): 1425-1441 (2016) - 2015
- [j18]Thomas B. Steinbrecher, Markus K. Dahlgren, Daniel Cappel
Accurate Binding Free Energy Predictions in Fragment Optimization. J. Chem. Inf. Model. 55(11): 2411-2420 (2015) - 2012
- [j17]Matthew P. Repasky, Robert B. Murphy, Jay L. Banks, Jeremy R. Greenwood, Ivan Tubert-Brohman, Sathesh Bhat, Richard A. Friesner:
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 glide. J. Comput. Aided Mol. Des. 26(6): 787-799 (2012) - 2010
- [j16]K. Shawn Watts, Pranav Dalal, Robert B. Murphy, Woody Sherman
ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers. J. Chem. Inf. Model. 50(4): 534-546 (2010)
2000 – 2009
- 2007
- [j15]Zhiyong Zhou, Anthony K. Felts, Richard A. Friesner, Ronald M. Levy:
Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets. J. Chem. Inf. Model. 47(4): 1599-1608 (2007) - 2006
- [j14]Steven L. Dixon, Alexander M. Smondyrev, Eric H. Knoll, Shashidhar N. Rao, David E. Shaw, Richard A. Friesner:
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results. J. Comput. Aided Mol. Des. 20(10-11): 647-671 (2006) - [j13]Zhiyun Yu, Matthew P. Jacobson
What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomolecules. J. Comput. Chem. 27(1): 72-89 (2006) - 2005
- [j12]Art E. Cho, Victor Guallar
Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach. J. Comput. Chem. 26(9): 915-931 (2005) - [j11]Jay L. Banks, Hege S. Beard, Yixiang X. Cao, Art E. Cho, Wolfgang Damm, Ramy Farid, Anthony K. Felts, Thomas A. Halgren, Daniel T. Mainz, Jon R. Maple, Robert B. Murphy, Dean M. Philipp, Matthew P. Repasky, Linda Yu Zhang, Bruce J. Berne, Richard A. Friesner, Emilio Gallicchio, Ronald M. Levy:
Integrated Modeling Program, Applied Chemical Theory (IMPACT). J. Comput. Chem. 26(16): 1752-1780 (2005) - 2003
- [j10]George A. Kaminski, Richard A. Friesner, Ruhong Zhou
A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations. J. Comput. Chem. 24(3): 267-276 (2003) - 2002
- [j9]George A. Kaminski, Harry A. Stern, Bruce J. Berne, Richard A. Friesner, Yixiang X. Cao, Robert B. Murphy, Ruhong Zhou
Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests. J. Comput. Chem. 23(16): 1515-1531 (2002) - 2001
- [j8]Linda Yu Zhang, Emilio Gallicchio
Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations. J. Comput. Chem. 22(6): 591-607 (2001) - 2000
- [j7]Robert B. Murphy, Dean M. Philipp, Richard A. Friesner:
A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments. J. Comput. Chem. 21(16): 1442-1457 (2000)
1990 – 1999
- 1999
- [j6]Dean M. Philipp, Richard A. Friesner:
Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide. J. Comput. Chem. 20(14): 1468-1494 (1999) - 1998
- [j5]David Chasman, Michael D. Beachy, Limin Wang, Richard A. Friesner:
Parallel pseudospectral electronic structure: I. Hartree-Fock calculations. J. Comput. Chem. 19(9): 1017-1029 (1998) - [j4]Michael D. Beachy, David Chasman, Richard A. Friesner, Robert B. Murphy:
Parallel pseudospectral electronic structure: II. Localized Møller-Plesset calculations. J. Comput. Chem. 19(9): 1030-1038 (1998) - 1997
- [j3]Christian M. Cortis, Richard A. Friesner:
An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation. J. Comput. Chem. 18(13): 1570-1590 (1997) - [j2]Christian M. Cortis, Richard A. Friesner:
Numerical solution of the Poisson-Boltzmann equation using tetrahedral finite-element meshes. J. Comput. Chem. 18(13): 1591-1608 (1997) - 1996
- [j1]John R. Gunn, Richard A. Friesner:
Parallel implementation of a protein structure refinement algorithm. J. Comput. Chem. 17(10): 1217-1228 (1996)
Coauthor Index
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