Parallel implementation of a protein structure refinement algorithm. - John R. Gunn; Richard A. Friesner (J. Comput. Chem., 1996)

An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation. - Christian M. Cortis; Richard A. Friesner (J. Comput. Chem., 1997)

Numerical solution of the Poisson-Boltzmann equation using tetrahedral finite-element meshes. - Christian M. Cortis; Richard A. Friesner (J. Comput. Chem., 1997)

Parallel pseudospectral electronic structure: II. Localized Møller-Plesset calculations. - Michael D. Beachy; David Chasman; Richard A. Friesner; Robert B. Murphy (J. Comput. Chem., 1998)

Parallel pseudospectral electronic structure: I. Hartree-Fock calculations. - David Chasman; Michael D. Beachy; Limin Wang; Richard A. Friesner (J. Comput. Chem., 1998)

Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide. - Dean M. Philipp; Richard A. Friesner (J. Comput. Chem., 1999)

A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments. - Robert B. Murphy; Dean M. Philipp; Richard A. Friesner (J. Comput. Chem., 2000)

Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations. - Linda Yu Zhang; Emilio Gallicchio; Richard A. Friesner; Ronald M. Levy (J. Comput. Chem., 2001)

Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests. - George A. Kaminski; Harry A. Stern; Bruce J. Berne; Richard A. Friesner; Yixiang X. Cao; Robert B. Murphy; Ruhong Zhou; Thomas A. Halgren (J. Comput. Chem., 2002)

A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations. - George A. Kaminski; Richard A. Friesner; Ruhong Zhou (J. Comput. Chem., 2003)

Integrated Modeling Program, Applied Chemical Theory (IMPACT). - 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; et al. (J. Comput. Chem., 2005)

Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach. - Art E. Cho; Victor Guallar; Bruce J. Berne; Richard A. Friesner (J. Comput. Chem., 2005)

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results. - Steven L. Dixon; Alexander M. Smondyrev; Eric H. Knoll; Shashidhar N. Rao; David E. Shaw; Richard A. Friesner (J. Comput. Aided Mol. Des., 2006)

What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomolecules. - Zhiyun Yu; Matthew P. Jacobson; Richard A. Friesner (J. Comput. Chem., 2006)

Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets. - Zhiyong Zhou; Anthony K. Felts; Richard A. Friesner; Ronald M. Levy (J. Chem. Inf. Model., 2007)

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers. - K. Shawn Watts; Pranav Dalal; Robert B. Murphy; Woody Sherman; Richard A. Friesner; John C. Shelley (J. Chem. Inf. Model., 2010)

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. - Matthew P. Repasky; Robert B. Murphy; Jay L. Banks; Jeremy R. Greenwood; Ivan Tubert-Brohman; Sathesh Bhat; Richard A. Friesner (J. Comput. Aided Mol. Des., 2012)

Accurate Binding Free Energy Predictions in Fragment Optimization. - Thomas B. Steinbrecher; Markus K. Dahlgren; Daniel Cappel; Teng Lin; Lingle Wang; Goran Krilov; Robert Abel; Richard A. Friesner; Woody Sherman (J. Chem. Inf. Model., 2015)

Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules. - 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 (J. Comput. Chem., 2016)

Pseudospectral implementations of long-range corrected density functional theory. - Yixiang X. Cao; Mathew D. Halls; Tati Reddy Vadicherla; Richard A. Friesner (J. Comput. Chem., 2021)

Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations. - 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 (J. Chem. Inf. Model., 2023)