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Christopher I Bayly

Showing results (11-20 of 40) with videos related to

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Journal of Chemical Theory and Computation|February 13, 2010
Small molecule hydration free energies in explicit solvent: An extensive test of fixed-charge atomistic simulationsDavid L Mobley, Christopher I Bayly, Matthew D Cooper, et al.
Journal of Computer-Aided Molecular Design|March 18, 2014
Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TKBenjamin A Ellingson, Matthew T Geballe, Stanislaw Wlodek, et al.
Journal of Computational Chemistry|July 15, 2009
Using electronic polarization from the internal continuum (EPIC) for intermolecular interactionsJean-François Truchon, Anthony Nicholl's, J Andrew Grant, et al.
The Journal of Physical Chemistry. B|September 5, 2015
Toward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data ArchiveKyle A Beauchamp, Julie M Behr, Ariën S Rustenburg, et al.
Bioorganic & Medicinal Chemistry Letters|December 13, 2006
A generally applicable method for assessing the electrophilicity and reactivity of diverse nitrile-containing compoundsRenata M Oballa, Jean-François Truchon, Christopher I Bayly, et al.
Communications Chemistry|June 17, 2021
Non-bonded force field model with advanced restrained electrostatic potential charges (RESP2)Michael Schauperl, Paul S Nerenberg, Hyesu Jang, et al.
Journal of Medicinal Chemistry|January 25, 2008
Predicting small-molecule solvation free energies: an informal blind test for computational chemistryAnthony Nicholls, David L Mobley, J Peter Guthrie, et al.
Bioorganic & Medicinal Chemistry Letters|June 5, 2007
Primary amides as selective inhibitors of cathepsin KSerge Léger, Christopher I Bayly, W Cameron Black, et al.
Journal of Chemical Theory and Computation|December 5, 2018
Toward Learned Chemical Perception of Force Field Typing RulesCamila Zanette, Caitlin C Bannan, Christopher I Bayly, et al.
Journal of Computer-Aided Molecular Design|February 4, 2014
Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designsGeorgia McGaughey, Christopher I Bayly, Christopher D Cox, et al.
Pageof 4

Showing results (11-20 of 40) with videos related to

Sort By:
Pageof 4
Journal of Chemical Theory and Computation|February 13, 2010
Small molecule hydration free energies in explicit solvent: An extensive test of fixed-charge atomistic simulationsDavid L Mobley, Christopher I Bayly, Matthew D Cooper, et al.
Journal of Computer-Aided Molecular Design|March 18, 2014
Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TKBenjamin A Ellingson, Matthew T Geballe, Stanislaw Wlodek, et al.
Journal of Computational Chemistry|July 15, 2009
Using electronic polarization from the internal continuum (EPIC) for intermolecular interactionsJean-François Truchon, Anthony Nicholl's, J Andrew Grant, et al.
The Journal of Physical Chemistry. B|September 5, 2015
Toward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data ArchiveKyle A Beauchamp, Julie M Behr, Ariën S Rustenburg, et al.
Bioorganic & Medicinal Chemistry Letters|December 13, 2006
A generally applicable method for assessing the electrophilicity and reactivity of diverse nitrile-containing compoundsRenata M Oballa, Jean-François Truchon, Christopher I Bayly, et al.
Communications Chemistry|June 17, 2021
Non-bonded force field model with advanced restrained electrostatic potential charges (RESP2)Michael Schauperl, Paul S Nerenberg, Hyesu Jang, et al.
Journal of Medicinal Chemistry|January 25, 2008
Predicting small-molecule solvation free energies: an informal blind test for computational chemistryAnthony Nicholls, David L Mobley, J Peter Guthrie, et al.
Bioorganic & Medicinal Chemistry Letters|June 5, 2007
Primary amides as selective inhibitors of cathepsin KSerge Léger, Christopher I Bayly, W Cameron Black, et al.
Journal of Chemical Theory and Computation|December 5, 2018
Toward Learned Chemical Perception of Force Field Typing RulesCamila Zanette, Caitlin C Bannan, Christopher I Bayly, et al.
Journal of Computer-Aided Molecular Design|February 4, 2014
Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designsGeorgia McGaughey, Christopher I Bayly, Christopher D Cox, et al.
Pageof 4