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Authors whose works are in public domain in at least one jurisdiction

List of works by Michael S Bodnarchuk

Enhancing Ligand and Protein Sampling Using Sequential Monte Carlo

scientific article published on 19 May 2022

ProtoCaller: Robust Automation of Binding Free Energy Calculations

scientific article published on 26 March 2020

Role of Deprotonation Free Energies in pKa Prediction and Molecule Ranking

scientific article published in June 2014

Sensitivity of Binding Free Energy Calculations to Initial Protein Crystal Structure

scientific article published on 06 February 2021

Strategies to calculate water binding free energies in protein-ligand complexes

scientific article published on 6 June 2014

Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C

scientific article published on 13 February 2020

Water network perturbation in ligand binding: adenosine A(2A) antagonists as a case study.

scientific article published on 14 June 2013

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