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Simon P Webb

Showing results (1-10 of 8) with videos related to

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Journal of the American Chemical Society|June 24, 2004
Determinants of the relative reduction potentials of type-1 copper sites in proteinsHui Li, Simon P Webb, Joseph Ivanic, et al.
Journal of Chemical Theory and Computation|May 29, 2012
Modeling Protein-Ligand Binding by Mining MinimaWei Chen, Michael K Gilson, Simon P Webb, et al.
Journal of Chemical Theory and Computation|July 11, 2024
Rapid, Accurate, Ranking of Protein-Ligand Binding Affinities with VM2, the Second-Generation Mining Minima MethodMichael K Gilson, Lawrence E Stewart, Michael J Potter, et al.
The Journal of Physical Chemistry. A|June 10, 2010
Solvent-induced frequency shifts: configuration interaction singles combined with the effective fragment potential methodPooja Arora, Lyudmila V Slipchenko, Simon P Webb, et al.
Chemical Science|December 12, 2022
Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenaseGabriela C Schröder, William B O'Dell, Simon P Webb, et al.
The Journal of Chemical Physics|March 16, 2021
Computation of host-guest binding free energies with a new quantum mechanics based mining minima algorithmPeng Xu, Tosaporn Sattasathuchana, Emilie Guidez, et al.
Journal of Chemical Theory and Computation|April 9, 2025
Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima AlgorithmMegan Schlinsog, Tosaporn Sattasathuchana, Peng Xu, et al.
Clinical Cancer Research : an Official Journal of the American Association for Cancer Research|June 19, 2007
Proteomic analysis identifies oxidative stress induction by adaphostinLuke H Stockwin, Maja A Bumke, Sherry X Yu, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Journal of the American Chemical Society|June 24, 2004
Determinants of the relative reduction potentials of type-1 copper sites in proteinsHui Li, Simon P Webb, Joseph Ivanic, et al.
Journal of Chemical Theory and Computation|May 29, 2012
Modeling Protein-Ligand Binding by Mining MinimaWei Chen, Michael K Gilson, Simon P Webb, et al.
Journal of Chemical Theory and Computation|July 11, 2024
Rapid, Accurate, Ranking of Protein-Ligand Binding Affinities with VM2, the Second-Generation Mining Minima MethodMichael K Gilson, Lawrence E Stewart, Michael J Potter, et al.
The Journal of Physical Chemistry. A|June 10, 2010
Solvent-induced frequency shifts: configuration interaction singles combined with the effective fragment potential methodPooja Arora, Lyudmila V Slipchenko, Simon P Webb, et al.
Chemical Science|December 12, 2022
Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenaseGabriela C Schröder, William B O'Dell, Simon P Webb, et al.
The Journal of Chemical Physics|March 16, 2021
Computation of host-guest binding free energies with a new quantum mechanics based mining minima algorithmPeng Xu, Tosaporn Sattasathuchana, Emilie Guidez, et al.
Journal of Chemical Theory and Computation|April 9, 2025
Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima AlgorithmMegan Schlinsog, Tosaporn Sattasathuchana, Peng Xu, et al.
Clinical Cancer Research : an Official Journal of the American Association for Cancer Research|June 19, 2007
Proteomic analysis identifies oxidative stress induction by adaphostinLuke H Stockwin, Maja A Bumke, Sherry X Yu, et al.
Pageof 1