List of works by Richard A Friesner

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

scientific article published on 04 July 2020

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

scientific article published on 20 March 2020

Advancing Drug Discovery through Enhanced Free Energy Calculations

scientific article

Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals

scientific article published on 04 April 2022

Chemical Transformations Approaching Chemical Accuracy via Correlated Sampling in Auxiliary-Field Quantum Monte Carlo.

scientific article published on 8 May 2017

Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains

scientific article published on 17 November 2020

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

scientific article

Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models

scientific article published in 2022

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

scientific article published on 04 March 2019

OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space

scientific article published on 07 June 2021

Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units

scientific article published on 02 July 2018

Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein–Ligand Binding

scientific article published on 29 March 2021

Singlet-Triplet Energy Gaps of Organic Biradicals and Polyacenes with Auxiliary-Field Quantum Monte Carlo

scientific article published on 19 August 2019

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