Richard A. Friesner

21 papers Journal 21
YearRankTypeTitle / Venue / Authors
2023 J jnl
Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations.
J. Chem. Inf. Model.
Wei 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
2021 J jnl
Pseudospectral implementations of long-range corrected density functional theory.
J. Comput. Chem.
Yixiang X. Cao, Mathew D. Halls, Tati Reddy Vadicherla, Richard A. Friesner
2016 J jnl
Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules.
J. Comput. Chem.
Yixiang 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
2015 J jnl
Accurate Binding Free Energy Predictions in Fragment Optimization.
J. Chem. Inf. Model.
Thomas B. Steinbrecher, Markus K. Dahlgren, Daniel Cappel, Teng Lin, Lingle Wang, Goran Krilov, Robert Abel, Richard A. Friesner, Woody Sherman
2012 J jnl
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.
Matthew P. Repasky, Robert B. Murphy, Jay L. Banks, Jeremy R. Greenwood, Ivan Tubert-Brohman, Sathesh Bhat, Richard A. Friesner
2010 J jnl
ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers.
J. Chem. Inf. Model.
K. Shawn Watts, Pranav Dalal, Robert B. Murphy, Woody Sherman, Richard A. Friesner, John C. Shelley
2007 J jnl
Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets.
J. Chem. Inf. Model.
Zhiyong Zhou, Anthony K. Felts, Richard A. Friesner, Ronald M. Levy
2006 J jnl
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.
Steven L. Dixon, Alexander M. Smondyrev, Eric H. Knoll, Shashidhar N. Rao, David E. Shaw, Richard A. Friesner
2006 J jnl
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.
Zhiyun Yu, Matthew P. Jacobson, Richard A. Friesner
2005 J jnl
Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach.
J. Comput. Chem.
Art E. Cho, Victor Guallar, Bruce J. Berne, Richard A. Friesner
2005 J jnl
Integrated Modeling Program, Applied Chemical Theory (IMPACT).
J. Comput. Chem.
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
2003 J jnl
A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations.
J. Comput. Chem.
George A. Kaminski, Richard A. Friesner, Ruhong Zhou
2002 J jnl
Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests.
J. Comput. Chem.
George A. Kaminski, Harry A. Stern, Bruce J. Berne, Richard A. Friesner, Yixiang X. Cao, Robert B. Murphy, Ruhong Zhou, Thomas A. Halgren
2001 J jnl
Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations.
J. Comput. Chem.
Linda Yu Zhang, Emilio Gallicchio, Richard A. Friesner, Ronald M. Levy
2000 J jnl
A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments.
J. Comput. Chem.
Robert B. Murphy, Dean M. Philipp, Richard A. Friesner
1999 J jnl
Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide.
J. Comput. Chem.
Dean M. Philipp, Richard A. Friesner
1998 J jnl
Parallel pseudospectral electronic structure: I. Hartree-Fock calculations.
J. Comput. Chem.
David Chasman, Michael D. Beachy, Limin Wang, Richard A. Friesner
1998 J jnl
Parallel pseudospectral electronic structure: II. Localized Møller-Plesset calculations.
J. Comput. Chem.
Michael D. Beachy, David Chasman, Richard A. Friesner, Robert B. Murphy
1997 J jnl
An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation.
J. Comput. Chem.
Christian M. Cortis, Richard A. Friesner
1997 J jnl
Numerical solution of the Poisson-Boltzmann equation using tetrahedral finite-element meshes.
J. Comput. Chem.
Christian M. Cortis, Richard A. Friesner
1996 J jnl
Parallel implementation of a protein structure refinement algorithm.
J. Comput. Chem.
John R. Gunn, Richard A. Friesner