Simon Webb
6PUBLICATIONS
22CO-AUTHORS
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Publications (6)
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|Apr 09, 2025
Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm.Megan Schlinsog, Tosaporn Sattasathuchana, Peng Xu
|Jul 11, 2024
Rapid, Accurate, Ranking of Protein-Ligand Binding Affinities with VM2, the Second-Generation Mining Minima Method.Michael K Gilson, Lawrence E Stewart, Michael J Potter
|Jan 16, 2024
Correction to "Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy".Farzad Molani, Simon Webb, Art E Cho
|Oct 04, 2023
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures.Federico Zahariev, Peng Xu, Bryce M Westheimer
|Apr 20, 2023
Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy.Farzad Molani, Simon Webb, Art E Cho
|Dec 12, 2022
Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase.Gabriela C Schröder, William B O'Dell, Simon P Webb
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Frequent Collaborators
2 joint publications
Michael K Gilson
2 joint publications
Emilie Guidez
2 joint publications
Farzad Molani
2 joint publications
Art E Cho
1 joint publications
Gabriela C Schröder
1 joint publications
William B O'Dell
1 joint publications
Pratul K Agarwal
1 joint publications
Flora Meilleur
1 joint publications
Megan Schlinsog
1 joint publications
Tosaporn Sattasathuchana
