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David L Mobley

Showing results (131-140 of 153) with videos related to

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The Journal of Physical Chemistry. B|July 11, 2024
The Open Force Field Initiative: Open Software and Open Science for Molecular ModelingLily Wang, Pavan Kumar Behara, Matthew W Thompson, et al.
Journal of Chemical Theory and Computation|July 24, 2023
Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies ApproachHannah M Baumann, Eric Dybeck, Christopher L McClendon, et al.
ACS Infectious Diseases|December 28, 2020
Structural and Molecular Dynamics of <i>Mycobacterium tuberculosis</i> Malic Enzyme, a Potential Anti-TB Drug TargetKalistyn H Burley, Bonnie J Cuthbert, Piyali Basu, et al.
Journal of Computer-Aided Molecular Design|November 12, 2018
Overview of the SAMPL6 host-guest binding affinity prediction challengeAndrea Rizzi, Steven Murkli, John N McNeill, et al.
Nucleic Acids Research|February 14, 2019
Understanding the role of intermolecular interactions between lissoclimides and the eukaryotic ribosomeSimone Pellegrino, Mélanie Meyer, Zef A Könst, et al.
Journal of Computer-Aided Molecular Design|November 9, 2018
pK<sub>a</sub> measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragmentsMehtap Işık, Dorothy Levorse, Ariën S Rustenburg, et al.
Living Journal of Computational Molecular Science|November 16, 2022
Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [Article v0.1]David F Hahn, Christopher I Bayly, Hannah E Bruce Macdonald, et al.
Journal of Chemical Information and Modeling|November 9, 2022
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at ScaleJoshua T Horton, Simon Boothroyd, Jeffrey Wagner, et al.
Journal of Chemical Theory and Computation|October 24, 2018
Escaping Atom Types in Force Fields Using Direct Chemical PerceptionDavid L Mobley, Caitlin C Bannan, Andrea Rizzi, et al.
Nature Chemistry|October 25, 2017
Synthesis facilitates an understanding of the structural basis for translation inhibition by the lissoclimidesZef A Könst, Anne R Szklarski, Simone Pellegrino, et al.
Pageof 16

Showing results (131-140 of 153) with videos related to

Sort By:
Pageof 16
The Journal of Physical Chemistry. B|July 11, 2024
The Open Force Field Initiative: Open Software and Open Science for Molecular ModelingLily Wang, Pavan Kumar Behara, Matthew W Thompson, et al.
Journal of Chemical Theory and Computation|July 24, 2023
Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies ApproachHannah M Baumann, Eric Dybeck, Christopher L McClendon, et al.
ACS Infectious Diseases|December 28, 2020
Structural and Molecular Dynamics of <i>Mycobacterium tuberculosis</i> Malic Enzyme, a Potential Anti-TB Drug TargetKalistyn H Burley, Bonnie J Cuthbert, Piyali Basu, et al.
Journal of Computer-Aided Molecular Design|November 12, 2018
Overview of the SAMPL6 host-guest binding affinity prediction challengeAndrea Rizzi, Steven Murkli, John N McNeill, et al.
Nucleic Acids Research|February 14, 2019
Understanding the role of intermolecular interactions between lissoclimides and the eukaryotic ribosomeSimone Pellegrino, Mélanie Meyer, Zef A Könst, et al.
Journal of Computer-Aided Molecular Design|November 9, 2018
pK<sub>a</sub> measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragmentsMehtap Işık, Dorothy Levorse, Ariën S Rustenburg, et al.
Living Journal of Computational Molecular Science|November 16, 2022
Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [Article v0.1]David F Hahn, Christopher I Bayly, Hannah E Bruce Macdonald, et al.
Journal of Chemical Information and Modeling|November 9, 2022
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at ScaleJoshua T Horton, Simon Boothroyd, Jeffrey Wagner, et al.
Journal of Chemical Theory and Computation|October 24, 2018
Escaping Atom Types in Force Fields Using Direct Chemical PerceptionDavid L Mobley, Caitlin C Bannan, Andrea Rizzi, et al.
Nature Chemistry|October 25, 2017
Synthesis facilitates an understanding of the structural basis for translation inhibition by the lissoclimidesZef A Könst, Anne R Szklarski, Simone Pellegrino, et al.
Pageof 16