Richard A. Friesner

发表

THEORETICAL STUDIES OF THE LIGHT REACTIONS IN PHOTOSYNTHESIS

Richard A. Friesner, 2012 .

Accurate Binding Free Energy Predictions in Fragment Optimization

Daniel Cappel, Woody Sherman, Robert Abel, 2015, J. Chem. Inf. Model..

Reply to Nikiforovich et al.: Restoration of the loop regions of G-protein–coupled receptors

Kai Zhu, Richard A. Friesner, Dahlia A. Goldfeld, 2011, Proceedings of the National Academy of Sciences.

Integrated Modeling Program, Applied Chemical Theory (IMPACT)

Richard A. Friesner, Anthony K. Felts, Ronald M. Levy, 2005, J. Comput. Chem..

Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests

Harry A. Stern, Ruhong Zhou, Richard A. Friesner, 2002, J. Comput. Chem..

A Brief History of Glide: A New Paradigm for Docking and Scoring in Virtual Screening

Richard A. Friesner, Thomas A. Halgren, Robert B. Murphy, 2005 .

Global Optimization and Sampling in the Context of Tertiary Structure Prediction: A Comparison of Two Algorithms

Richard A. Friesner, Daron M. Standley, Volker A. Eyrich, 2000 .

Small Molecule Docking

Richard A. Friesner, Matthew P. Repasky, Ramy Farid, 2008 .

An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation

Richard A. Friesner, Christian M. Cortis, R. Friesner, 1997, J. Comput. Chem..

Parallel pseudospectral electronic structure: I. Hartree-Fock calculations

Limin Wang, Richard A. Friesner, David Chasman, 1998, Journal of Computational Chemistry.

OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules.

Robert Abel, Lingle Wang, Richard A. Friesner, 2019, Journal of chemical theory and computation.

Highly efficient implementation of pseudospectral time‐dependent density‐functional theory for the calculation of excitation energies of large molecules

Mathew D. Halls, Alexander Goldberg, Woody Sherman, 2016, J. Comput. Chem..

What role do surfaces play in GB models? A new‐generation of surface‐generalized born model based on a novel gaussian surface for biomolecules

Richard A. Friesner, Matthew P. Jacobson, Zhiyun Yu, 2006, J. Comput. Chem..

A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments

Richard A. Friesner, Robert B. Murphy, Dean M. Philipp, 2000, J. Comput. Chem..

Parallel implementation of a protein structure refinement algorithm

Richard A. Friesner, John R. Gunn, 1996, J. Comput. Chem..

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

David E. Shaw, Richard A. Friesner, Steven L. Dixon, 2006, J. Comput. Aided Mol. Des..

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

Richard A. Friesner, Sathesh Bhat, Ivan Tubert-Brohman, 2012, Journal of Computer-Aided Molecular Design.

Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide

Richard A. Friesner, Dean M. Philipp, R. Friesner, 1999, J. Comput. Chem..

Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach

Victor Guallar, Richard A. Friesner, Art E. Cho, 2005, J. Comput. Chem..

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers

Woody Sherman, Richard A. Friesner, Robert B. Murphy, 2010, J. Chem. Inf. Model..

Solvent models for protein–ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations

Richard A. Friesner, Ronald M. Levy, Emilio Gallicchio, 2001, J. Comput. Chem..

Numerical solution of the Poisson-Boltzmann equation using tetrahedral finite-element meshes

Richard A. Friesner, Christian M. Cortis, R. Friesner, 1997, J. Comput. Chem..

Computational Approach To Large Quam Dynamical Problems

Richard A. Friesner, Robert E. Wyatt, Jean-Philippe Brunet, 1987 .

The pivot algorithm and memory-based reasoning algorithm with contacts

Richard A. Friesner, Leslie Ann Johnson, 1994 .

A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations

Ruhong Zhou, Richard A. Friesner, George A. Kaminski, 2003, J. Comput. Chem..

Parallel implementation of a protein structure refinement algorithm

Richard A. Friesner, John R. Gunn, 1996 .

Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets

Richard A. Friesner, Anthony K. Felts, Ronald M. Levy, 2007, J. Chem. Inf. Model..

Leveraging Data Fusion Strategies in Multireceptor Lead Optimization MM/GBSA End-Point Methods.

Robert Abel, Richard A. Friesner, Jennifer L. Knight, 2014, Journal of chemical theory and computation.

Free Energy Perturbation Calculation of Relative Binding Free Energy between Broadly Neutralizing Antibodies and the gp120 Glycoprotein of HIV-1

Tongqing Zhou, Baoshan Zhang, Robert Abel, 2017, Journal of molecular biology.

Efficient Fock matrix diagonalization by a Krylov‐space method

Richard A. Friesner, W. Thomas Pollard, R. Friesner, 1993 .

Electronic Structure and Luminescence of 1.1- and 1.4-nm Silicon Nanocrystals: Oxide Shell versus Hydrogen Passivation

Louis E. Brus, Richard A. Friesner, R. Friesner, 2003 .

Application and development of multiconfigurational localized perturbation theory

Richard A. Friesner, Barry D. Dunietz, R. Friesner, 2001 .

Multicolor Live-Cell Chemical Imaging by Isotopically Edited Alkyne Vibrational Palette

Lu Wei, Wei Min, Richard A. Friesner, 2014, Journal of the American Chemical Society.

Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences

Jing Zhang, Mathew D. Halls, Thomas F. Hughes, 2013 .

New Linear Interaction Method for Binding Affinity Calculations Using a Continuum Solvent Model

Ruhong Zhou, Richard A. Friesner, Ronald M. Levy, 2001 .

Flexible ligand docking with Glide.

Richard A. Friesner, Matthew P. Repasky, R. Friesner, 2007, Current protocols in bioinformatics.

Large Scale ab Initio Quantum Chemical Calculation of the Intermediates in the Soluble Methane Monooxygenase Catalytic Cycle

Yixiang Cao, Richard A. Friesner, Michael D. Beachy, 2000 .

Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets.

Richard A. Friesner, Anthony K. Felts, Ronald M. Levy, 2007 .

Yixiang Cao, Richard A. Friesner, Robert B. Murphy, 1999 .

Accurate ab Initio Quantum Chemical Determination of the Relative Energetics of Peptide Conformations and Assessment of Empirical Force Fields

Richard A. Friesner, Thomas A. Halgren, Robert B. Murphy, 1997 .

Nonadiabatic processes in condensed matter: semi-classical theory and implementation

Richard A. Friesner, Peter J. Rossky, P. Rossky, 1991 .

A mixed quantum mechanics/molecular mechanics (QM/MM) method for large‐scale modeling of chemistry in protein environments

Richard A. Friesner, Robert B. Murphy, Dean M. Philipp, 2000, J. Comput. Chem..

Pseudospectral contracted configuration interaction from a generalized valence bond reference

Richard A. Friesner, William A. Goddard, Robert B. Murphy, 1994 .

Efficient memory equation algorithm for reduced dynamics in spin-boson models

Richard A. Friesner, R. Friesner, A. Golosov, 1999 .

Correction to “Replica Exchange with Solute Scaling: A More Efficient Version of Replica Exchange with Solute Tempering (REST2)”

Lingle Wang, Richard A. Friesner, Bruce J. Berne, 2011 .

Advancing Drug Discovery through Enhanced Free Energy Calculations.

Robert Abel, Lingle Wang, Richard A. Friesner, 2017, Accounts of chemical research.

Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide

Richard A. Friesner, Dean M. Philipp, R. Friesner, 1999 .

Poisson−Boltzmann Analytical Gradients for Molecular Modeling Calculations

Ruhong Zhou, Richard A. Friesner, Mark S. Friedrichs, 1999 .

Hierarchical algorithm for computer modeling of protein tertiary structure: folding of myoglobin to 6.2 .ANG. resolution

Richard A. Friesner, John R. Gunn, R. Friesner, 1994 .

Solution of the Hartree–Fock equations by a pseudospectral method: Application to diatomic molecules

Richard A. Friesner, R. Friesner, 1986 .

Constructing ab initio force fields for molecular dynamics simulations

Richard A. Friesner, Bruce J. Berne, Steven W. Rick, 1998 .

Solvation Free Energies of Peptides: Comparison of Approximate Continuum Solvation Models with Accurate Solution of the Poisson−Boltzmann Equation

Richard A. Friesner, Peter S. Shenkin, Christian M. Cortis, 1997 .

Prediction of [superscript 57] Fe Mossbauer Parameters by Density Functional Theory: A Benchmark Study

Richard A. Friesner, Stephen J. Lippard, Arteum D. Bochevarov, 2010 .

Parallel pseudospectral electronic structure: II. Localized Møller–Plesset calculations

Richard A. Friesner, Robert B. Murphy, David Chasman, 1998 .

Numerical solution of the Poisson–Boltzmann equation using tetrahedral finite‐element meshes

Richard A. Friesner, Christian M. Cortis, R. Friesner, 1997 .

Ab initio quantum chemical calculation of electron transfer matrix elements for large molecules

Richard A. Friesner, Robert B. Murphy, R. Friesner, 1997 .

An automatic three‐dimensional finite element mesh generation system for the Poisson–Boltzmann equation

Richard A. Friesner, Christian M. Cortis, R. Friesner, 1997 .

Complete protein structure determination using backbone residual dipolar couplings and sidechain rotamer prediction

Yuichi Harano, Richard A. Friesner, Ronald M. Levy, 2004, Journal of Structural and Functional Genomics.

Pseudospectral Hartree–Fock calculations on glycine

Richard A. Friesner, Youngdo Won, R. Friesner, 1990 .

Hydrogen Bonding between Amino Acid Backbone and Side Chain Analogues: A High-Level ab Initio Study

Richard A. Friesner, R. Friesner, Kyungsun Kim and, 1997 .

Solution of self-consistent field electronic structure equations by a pseudospectral method

Richard A. Friesner, R. Friesner, 1985 .

Solution of the Hartree–Fock equations for polyatomic molecules by a pseudospectral method

Richard A. Friesner, R. Friesner, 1987 .

On achieving high accuracy and reliability in the calculation of relative protein–ligand binding affinities

Lingle Wang, Richard A. Friesner, B. Berne, 2012, Proceedings of the National Academy of Sciences.

Pseudospectral Hartree–Fock theory: Applications and algorithmic improvements

Richard A. Friesner, R. Friesner, M. Ringnalda, 1990 .

Quasi-harmonic method for calculating vibrational spectra from classical simulations on multi-dimensional anharmonic potential surfaces

Richard A. Friesner, Ronald M. Levy, R. Friesner, 1984 .

First-Shell Solvation of Ion Pairs: Correction of Systematic Errors in Implicit Solvent Models†

Richard A. Friesner, Matthew P. Jacobson, Zhiyun Yu, 2004 .

A pH-dependent switch mediates conformational masking of SARS-CoV-2 spike

Tongqing Zhou, Baoshan Zhang, Richard A. Friesner, 2020, bioRxiv : the preprint server for biology.

Pseudospectral localized generalized Mo/ller–Plesset methods with a generalized valence bond reference wave function: Theory and calculation of conformational energies

Richard A. Friesner, Robert B. Murphy, W. Thomas Pollard, 1997 .

Quantum mechanical geometry optimization in solution using a finite element continuum electrostatics method

Richard A. Friesner, Christian M. Cortis, Michael D. Beachy, 1996 .

Fluctuating Charge, Polarizable Dipole, and Combined Models: Parameterization from ab Initio Quantum Chemistry

Harry A. Stern, Ruhong Zhou, Richard A. Friesner, 1999 .

Pseudospectral localized Mo/ller–Plesset methods: Theory and calculation of conformational energies

Richard A. Friesner, Robert B. Murphy, Michael D. Beachy, 1995 .

Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge model

Ruhong Zhou, Richard A. Friesner, George A. Kaminski, 1999 .

Strength of the N-HiiiO=C and C-HiiiO=C Bonds in Formamide and N-Methylacetamide Dimers

Harry A. Stern, Richard A. Friesner, David A. Dixon, 2001 .

SATURATION OF THE SECOND HYPERPOLARIZABILITY FOR POLYACETYLENES

Richard A. Friesner, William A. Goddard, R. Friesner, 1996 .

Stationary phase surface hopping for nonadiabatic dynamics: Two-state systems

Richard A. Friesner, Peter J. Rossky, P. Rossky, 1994 .

An Automatic Grid Generation Scheme for Pseudospectral Self-Consistent Field Calculations on Polyatomic Molecules

Richard A. Friesner, R. Friesner, 1988 .