Richard A Friesner

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 35

Top Topics

Molecular Dynamics

Protein Protein

Transition Metal

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

bioRxiv : the preprint server for biology

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Xu Yi, Lichirui Zhang, Richard A Friesner, Ann E McDermott
Predicted and Experimental NMR Chemical Shifts at Variable Temperatures: The Effect of Protein Conformational Dynamics. The journal of physical chemistry letters 15 (8) (2024)
Xu Yi, Lichirui Zhang, Richard A Friesner, Ann E McDermott
Predicted and Experimental NMR Chemical Shifts at Variable Temperatures: The Effect of Protein Conformational Dynamics. The journal of physical chemistry letters (2024)
Xu Yi, Lichirui Zhang, Richard A Friesner, Ann E McDermott
Predicted and Experimental NMR Chemical Shifts at Variable Temperatures: The Effect of Protein Conformational Dynamics. The journal of physical chemistry letters 15 (8) (2024)
Nooriel E Banayan, Andrew Hsu, John F Hunt, Arthur G Palmer, Richard A Friesner
Parsing Dynamics of Protein Backbone NH and Side-Chain Methyl Groups using Molecular Dynamics Simulations. Journal of chemical theory and computation 20 (14) (2024)
Jared M Sampson, Daniel A Cannon, Jianxin Duan, Jordan C K Epstein, Alina P Sergeeva, Phinikoula S Katsamba, Seetha M Mannepalli, Fabiana A Bahna, Hélène Adihou, Stéphanie M Guéret, Ranganath Gopalakrishnan, Stefan Geschwindner, D Gareth Rees, Anna Sigurdardottir, Trevor Wilkinson, Roger B Dodd, Leonardo De Maria, Juan Carlos Mobarec, Lawrence Shapiro, Barry Honig, Andrew Buchanan, Richard A Friesner, Lingle Wang
Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations. bioRxiv : the preprint server for biology (2024)
Jared M Sampson, Daniel A Cannon, Jianxin Duan, Jordan C K Epstein, Alina P Sergeeva, Phinikoula S Katsamba, Seetha M Mannepalli, Fabiana A Bahna, Hélène Adihou, Stéphanie M Guéret, Ranganath Gopalakrishnan, Stefan Geschwindner, D Gareth Rees, Anna Sigurdardottir, Trevor Wilkinson, Roger B Dodd, Leonardo De Maria, Juan Carlos Mobarec, Lawrence Shapiro, Barry Honig, Andrew Buchanan, Richard A Friesner, Lingle Wang
Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations. bioRxiv : the preprint server for biology (2024)
Xu Yi, Lichirui Zhang, Richard A Friesner, Ann E McDermott
Predicted and Experimental NMR Chemical Shifts at Variable Temperatures: The Effect of Protein Conformational Dynamics. The journal of physical chemistry letters 15 (8) (2024)
Xu Yi, Lichirui Zhang, Richard A Friesner, Ann E McDermott
Predicted and Experimental NMR Chemical Shifts at Variable Temperatures: The Effect of Protein Conformational Dynamics. The journal of physical chemistry letters 15 (8) (2024)
Nooriel E Banayan, Andrew Hsu, John F Hunt, Arthur G Palmer, Richard A Friesner
Parsing Dynamics of Protein Backbone NH and Side-Chain Methyl Groups using Molecular Dynamics Simulations. Journal of chemical theory and computation (2024)
Jared M Sampson, Daniel A Cannon, Jianxin Duan, Jordan C K Epstein, Alina P Sergeeva, Phinikoula S Katsamba, Seetha M Mannepalli, Fabiana A Bahna, Hélène Adihou, Stéphanie M Guéret, Ranganath Gopalakrishnan, Stefan Geschwindner, D Gareth Rees, Anna Sigurdardottir, Trevor Wilkinson, Roger B Dodd, Leonardo De Maria, Juan Carlos Mobarec, Lawrence Shapiro, Barry Honig, Andrew Buchanan, Richard A Friesner, Lingle Wang
Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations. bioRxiv : the preprint server for biology (2024)
Jared M Sampson, Daniel A Cannon, Jianxin Duan, Jordan C K Epstein, Alina P Sergeeva, Phinikoula S Katsamba, Seetha M Mannepalli, Fabiana A Bahna, Hélène Adihou, Stéphanie M Guéret, Ranganath Gopalakrishnan, Stefan Geschwindner, D Gareth Rees, Anna Sigurdardottir, Trevor Wilkinson, Roger B Dodd, Leonardo De Maria, Juan Carlos Mobarec, Lawrence Shapiro, Barry Honig, Andrew Buchanan, Richard A Friesner, Lingle Wang
Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations. bioRxiv : the preprint server for biology (2024)
Yujing Wei, Sibali Debnath, John L Weber, Ankit Mahajan, David R Reichman, Richard A Friesner
Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry. The journal of physical chemistry. A 128 (28) (2024)
Xu Yi, Lichirui Zhang, Richard A Friesner, Ann E McDermott
Predicted and Experimental NMR Chemical Shifts at Variable Temperatures: The Effect of Protein Conformational Dynamics. The journal of physical chemistry letters 15 (8) (2024)
Yujing Wei, Sibali Debnath, John L Weber, Ankit Mahajan, David R Reichman, Richard A Friesner
Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry. The journal of physical chemistry. A (2024)
Sibali Debnath, Verena A Neufeld, Leif D Jacobson, Benjamin Rudshteyn, John L Weber, Timothy C Berkelbach, Richard A Friesner
Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations. The journal of physical chemistry. A (2023)
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
Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations. Journal of chemical information and modeling (2023)
Dilek Coskun, Muyun Lihan, João P G L M Rodrigues, Márton Vass, Daniel Robinson, Richard A Friesner, Edward B Miller
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. Journal of chemical theory and computation (2023)
Dilek Coskun, Muyun Lihan, João P G L M Rodrigues, Márton Vass, Daniel Robinson, Richard A Friesner, Edward B Miller
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. Journal of chemical theory and computation 20 (1) (2023)
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
Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations. Journal of chemical information and modeling 63 (10) (2023)
Dilek Coskun, Muyun Lihan, João P G L M Rodrigues, Márton Vass, Daniel Robinson, Richard A Friesner, Edward B Miller
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. Journal of chemical theory and computation 20 (1) (2023)
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
Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations. Journal of chemical information and modeling 63 (10) (2023)
John L Weber, Hung Vuong, Richard A Friesner, David R Reichman
Expanding the Design Space of Constraints in Auxiliary-Field Quantum Monte Carlo. Journal of chemical theory and computation (2023)
Benjamin Rudshteyn, John L Weber, Dilek Coskun, Pierre A Devlaminck, Shiwei Zhang, David R Reichman, James Shee, Richard A Friesner
Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals. Journal of chemical theory and computation 18 (5) (2022)
Steven Dajnowicz, Garvit Agarwal, James M Stevenson, Leif D Jacobson, Farhad Ramezanghorbani, Karl Leswing, Richard A Friesner, Mathew D Halls, Robert Abel
High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations. The journal of physical chemistry. B 126 (33) (2022)
Dilek Coskun, Wei Chen, Anthony J Clark, Chao Lu, Edward D Harder, Lingle Wang, Richard A Friesner, Edward B Miller
Reliable and Accurate Prediction of Single-Residue p K a Values through Free Energy Perturbation Calculations. Journal of chemical theory and computation (2022)
Tianchuan Xu, Kai Zhu, Alexandre Beautrait, Jeremie Vendome, Kenneth W Borrelli, Robert Abel, Richard A Friesner, Edward B Miller
Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models. Journal of chemical theory and computation 18 (9) (2022)
Edward B Miller, Robert B Murphy, Daniel Sindhikara, Kenneth W Borrelli, Matthew J Grisewood, Fabio Ranalli, Steven L Dixon, Steven Jerome, Nicholas A Boyles, Tyler Day, Phani Ghanakota, Sayan Mondal, Salma B Rafi, Dawn M Troast, Robert Abel, Richard A Friesner
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding. Journal of chemical theory and computation 17 (4) (2021)
Chao Lu, Chuanjie Wu, Delaram Ghoreishi, Wei Chen, Lingle Wang, Wolfgang Damm, Gregory A Ross, Markus K Dahlgren, Ellery Russell, Christopher D Von Bargen, Robert Abel, Richard A Friesner, Edward D Harder
OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space. Journal of chemical theory and computation 17 (7) (2021)
Benjamin Rudshteyn, Dilek Coskun, John L Weber, Evan J Arthur, Shiwei Zhang, David R Reichman, Richard A Friesner, James Shee
Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo. Journal of chemical theory and computation 16 (5) (2020)
Guangqi Li, Benjamin Rudshteyn, James Shee, John L Weber, Dilek Coskun, Art D Bochevarov, Richard A Friesner
Accurate Quantum Chemical Calculation of Ionization Potentials: Validation of the DFT-LOC Approach via a Large Data Set Obtained from Experiments and Benchmark Quantum Chemical Calculations. Journal of chemical theory and computation 16 (4) (2020)
Katarina Roos, Chuanjie Wu, Wolfgang Damm, Mark Reboul, James M Stevenson, Chao Lu, Markus K Dahlgren, Sayan Mondal, Wei Chen, Lingle Wang, Robert Abel, Richard A Friesner, Edward D Harder
OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules. Journal of chemical theory and computation 15 (3) (2019)
James Shee, Evan J Arthur, Shiwei Zhang, David R Reichman, Richard A Friesner
Singlet-Triplet Energy Gaps of Organic Biradicals and Polyacenes with Auxiliary-Field Quantum Monte Carlo. Journal of chemical theory and computation 15 (9) (2019)
James Shee, Evan J Arthur, Shiwei Zhang, David R Reichman, Richard A Friesner
Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units. Journal of chemical theory and computation 14 (8) (2018)
James Shee, Shiwei Zhang, David R Reichman, Richard A Friesner
Chemical Transformations Approaching Chemical Accuracy via Correlated Sampling in Auxiliary-Field Quantum Monte Carlo. Journal of chemical theory and computation 13 (6) (2017)
Robert Abel, Lingle Wang, Edward D Harder, B J Berne, Richard A Friesner
Advancing Drug Discovery through Enhanced Free Energy Calculations. Accounts of chemical research 50 (7) (2017)