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Richard A. Friesner

columbia university

107H-index
486Paper Count
7.9WCitation Count
Published Papers 202
Publication Date
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A functional investigation of antibody Fc-FcRn variant binding guided by in silico free energy perturbation methods
errJournal of Molecular Biology
IF4.5
err2026-08-10
err0
PREAI
errJared M. Sampson; Alina P. Sergeeva; Tianyang Gao; Young Do Kwon; Eswar Reddem; Fabiana A. Bahna; Seetha M. Mannepalli; Baoshan Zhang; Peter D. Kwong; Lawrence Shapiro; Barry Honig; Richard A. Friesner
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Results of a Large-Scale Study of the Binding of 50 Type II Inhibitors to 348 Kinases: The Role of Protein Reorganization
errJournal of Medicinal Chemistry
IF6.8
err2026-04-09
err0
errOAAI
errVardan H. Vardanyan; Allan Haldane; Howook Hwang; Dilek Coskun; Muyun Lihan; Edward B. Miller; Richard A. Friesner; Ronald M. Levy
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Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-02
err0
PREAI
errHung T. Vuong; Ankit Mahajan; John L. Weber; James Shee; David R. Reichman; Richard A. Friesner
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An Accurate Charge-Aware Machine-Learning Interatomic Potential for the Reduction of Li-Ion Battery Electrolytes in Solution
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-24
err0
PREAI
errYujing Wei; John L. Weber; James M. Stevenson; Zachary K. Goldsmith; Xiaowei Xie; Leif D. Jacobson; Richard A. Friesner
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errSave
Glide WS: Methodology and Initial Assessment of Performance for Docking Accuracy and Virtual Screening
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errFriesner, Richard A.; Murphy, Robert B.; Zhang, Yuqi; Xiong, Yeyue; Devlaminck, Pierre A.; Tubert-Brohman, Ivan; Jerome, Steven V.
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A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study
errNATURE COMMUNICATIONS
IF15.7
err2025-03-05
err1
errOAAI
errZhou, Dong; Bier, Imanuel; Santra, Biswajit; Jacobson, Leif D.; Wu, Chuanjie; Suarez, Adiran Garaizar; Almaguer, Barbara Ramirez; Yu, Haoyu; Abel, Robert; Friesner, Richard A.; Wang, Lingle
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A Method for Treating Significant Conformational Changes in Alchemical Free Energy Simulations of Protein-Ligand Binding
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-27
err1
PREAI
errLiao, Junzhuo; Sergeeva, Alina P.; Harder, Edward D.; Wang, Lingle; Sampson, Jared M.; Honig, Barry; Friesner, Richard A.
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Quantum chemical package Jaguar: A survey of recent developments and unique features
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-02
err3
PREAI
errCao, Yixiang; Balduf, Ty; Beachy, Michael D.; Bennett, M. Chandler; Bochevarov, Art D.; Chien, Alan; Dub, Pavel A.; Dyall, Kenneth G.; Furness, James W.; Halls, Mathew D.; Hughes, Thomas F.; Jacobson, Leif D.; Kwak, H. Shaun; Levine, Daniel S.; Mainz, Daniel T.; Moore III, Kevin B.; Svensson, Mats; Videla, Pablo E.; Watson, Mark A.; Friesner, Richard A.
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Parsing Dynamics of Protein Backbone NH and Side-Chain Methyl Groups using Molecular Dynamics Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-07-03
err3
PREAI
errBanayan, Nooriel E.; Hsu, Andrew; Hunt, John F.; Palmer III, Arthur G.; Friesner, Richard A.
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Highly efficient implementation of analytic nonadiabatic derivative couplings within the pseudospectral method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-02-22
err1
PREAI
errCao, Yixiang; Halls, Mathew D.; Friesner, Richard A.
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Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-15
err12
PREAI
errCoskun, Dilek; Lihan, Muyun; Rodrigues, Joao P. G. L. M.; Vass, Marton; Robinson, Daniel; Friesner, Richard A.; Miller, Edward B.
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errSave
Expanding the Design Space of Constraints in Auxiliary-Field Quantum Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-27
err2
PREAI
errWeber, John L.; Vuong, Hung; Friesner, Richard A.; Reichman, David R.
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Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2023-10-25
err3
PREAI
errDebnath, Sibali; Neufeld, Verena A.; Jacobson, Leif D.; Rudshteyn, Benjamin; Weber, John L.; Berkelbach, Timothy C.; Friesner, Richard A.
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Toward Benchmark-Quality Ab Initio Predictions for 3d Transition Metal Electrocatalysts: A Comparison of CCSD(T) and ph-AFQMC
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-09-01
err16
errOAAI
errNeugebauer, Hagen; Vuong, Hung T.; Weber, John L.; Friesner, Richard A.; Shee, James; Hansen, Andreas
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Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-05-11
err50
PREAI
errChen, Wei; Cui, Di; Jerome, Steven V.; Michino, Mayako; Lenselink, Eelke B.; Huggins, David J.; Beautrait, Alexandre; Vendome, Jeremie; Abel, Robert; Friesner, Richard A.; Wang, Lingle
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On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-10
err12
errOAAI
errShee, James; Weber, John L.; Reichman, David R.; Friesner, Richard A.; Zhang, Shiwei
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errSave
Reliable and Accurate Prediction of Single-Residue pKa Values through Free Energy Perturbation Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-11-16
err14
PREAI
errCoskun, Dilek; Chen, Wei; Clark, Anthony J.; Lu, Chao; Harder, Edward D.; Wang, Lingle; Friesner, Richard A.; Miller, Edward B.
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Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-08-16
err11
PREAI
errXu, Tianchuan; Zhu, Kai; Beautrait, Alexandre; Vendome, Jeremie; Borrelli, Kenneth W.; Abel, Robert; Friesner, Richard A.; Miller, Edward B.
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High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2022-08-16
err26
PREAI
errDajnowicz, Steven; Agarwal, Garvit; Stevenson, James M.; Jacobson, Leif D.; Ramezanghorbani, Farhad; Leswing, Karl; Friesner, Richard A.; Halls, Mathew D.; Abel, Robert
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A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-05-04
err12
errOAAI
errWeber, John L.; Vuong, Hung; Devlaminck, Pierre A.; Shee, James; Lee, Joonho; Reichman, David R.; Friesner, Richard A.
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Research Directions

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Co-authors
Cooperation Journals
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Stephen J. Lippard
H-index: 144 · Papers: 1.5K
J
Jonathan L. Sessler
H-index: 135 · Papers: 1.5K
W
William H. Miller
H-index: 129 · Papers: 960
P
Peter D. Kwong
H-index: 122 · Papers: 733
T
Tony F. Heinz
H-index: 121 · Papers: 733
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