Simon P Webb (Simon Webb)

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 10

Top Topics

Molecular Dynamics Simulations

Oxide Nanoparticles

Protein Protein

Top Venues

Journal of chemical information and modeling

Journal of chemical theory and computation

Chemical science

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

Publications

Farzad Molani, Simon P Webb, Art E Cho
Correction to "Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy". Journal of chemical information and modeling 64 (3) (2024)
Michael K Gilson, Lawrence E Stewart, Michael J Potter, Simon P Webb
Rapid, Accurate, Ranking of Protein-Ligand Binding Affinities with VM2, the Second-Generation Mining Minima Method. Journal of chemical theory and computation 20 (14) (2024)
Michael K Gilson, Lawrence E Stewart, Michael J Potter, Simon P Webb
Rapid, Accurate, Ranking of Protein-Ligand Binding Affinities with VM2, the Second-Generation Mining Minima Method. Journal of chemical theory and computation (2024)
Michael K Gilson, Lawrence E Stewart, Michael J Potter, Simon P Webb
Rapid, Accurate, Ranking of Protein-Ligand Binding Affinities with VM2, the Second-Generation Mining Minima Method. Journal of chemical theory and computation (2024)
Farzad Molani, Simon P Webb, Art E Cho
Correction to "Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy". Journal of chemical information and modeling (2024)
Farzad Molani, Simon P Webb, Art E Cho
Correction to "Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy". Journal of chemical information and modeling 64 (3) (2024)
Federico Zahariev, Peng Xu, Bryce M Westheimer, Simon P Webb, Jorge Galvez Vallejo, Ananta Tiwari, Vaibhav Sundriyal, Masha Sosonkina, Jun Shen, George Schoendorff, Megan Schlinsog, Tosaporn Sattasathuchana, Klaus Ruedenberg, Luke B Roskop, Alistair P Rendell, David Poole, Piotr Piecuch, Buu Q Pham, Vladimir Mironov, Joani Mato, Sam Leonard, Sarom S Leang, Joe Ivanic, Jackson Hayes, Taylor Harville, Karthik Gururangan, Emilie B Guidez, Igor S Gerasimov, Christian Friedl, Katherine N Ferreras, George Elliott, Dipayan Datta, Daniel Del Angel Cruz, Laura Carrington, Colleen Bertoni, Giuseppe M J Barca, Melisa Alkan, Mark S Gordon
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures. Journal of chemical theory and computation (2023)
Farzad Molani, Simon P Webb, Art E Cho
Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy. Journal of chemical information and modeling (2023)
Gabriela C Schröder, William B O'Dell, Simon P Webb, Pratul K Agarwal, Flora Meilleur
Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase. Chemical science 13 (45) (2022)
Gabriela C Schröder, William B O'Dell, Simon P Webb, Pratul K Agarwal, Flora Meilleur
Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase. Chemical science 13 (45) (2022)