Richard A Friesner

29PUBLICATIONS
74CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Cheminformatics and quantitative structure-activity relationshipsRadiation and matterElectrical circuits and systemsFormal methods for software
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Publications (29)

|May 07, 2026
A functional investigation of antibody Fc-FcRn variant binding guided by in silico free energy perturbation methods.

|Apr 09, 2026
Results of a Large-Scale Study of the Binding of 50 Type II Inhibitors to 348 Kinases: The Role of Protein Reorganization.

Vardan H Vardanyan, Allan Haldane, Howook Hwang

|Mar 03, 2026
Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes.

Hung T Vuong, Ankit Mahajan, John L Weber

|Feb 24, 2026
An Accurate Charge-Aware Machine-Learning Interatomic Potential for the Reduction of Li-Ion Battery Electrolytes in Solution.

Yujing Wei, John L Weber, James M Stevenson

|Dec 03, 2025
Glide WS: Methodology and Initial Assessment of Performance for Docking Accuracy and Virtual Screening.

Richard A Friesner, Robert B Murphy, Yuqi Zhang

|Sep 27, 2024
A Method for Treating Significant Conformational Changes in Alchemical Free Energy Simulations of Protein-Ligand Binding.

Junzhuo Liao, Alina P Sergeeva, Edward D Harder

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Frequent Collaborators

7 joint publications

James Shee

7 joint publications

Lingle Wang

7 joint publications

John L Weber

4 joint publications

Edward D Harder