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Alexander D Mackerell

Showing results (261-270 of 403) with videos related to

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The Journal of Physical Chemistry. B|July 26, 2006
An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayerJeffery B Klauda, Bernard R Brooks, Alexander D MacKerell, et al.
Pathogens and Disease|June 29, 2023
Identification of a novel transport system in Borrelia burgdorferi that links the inner and outer membranesHannah G Bowen, Melisha R Kenedy, David K Johnson, et al.
BMC Cancer|January 12, 2011
Characterization of ERK docking domain inhibitors that induce apoptosis by targeting Rsk-1 and caspase-9Sarice R Boston, Rahul Deshmukh, Scott Strome, et al.
Scientific Reports|January 28, 2018
Characterization of Conformational Ensembles of Protonated N-glycans in the Gas-PhaseSuyong Re, Shigehisa Watabe, Wataru Nishima, et al.
Physical Chemistry Chemical Physics : PCCP|March 21, 2020
Impact of electronic polarizability on protein-functional group interactionsHimanshu Goel, Wenbo Yu, Vincent D Ustach, et al.
The Journal of Physical Chemistry Letters|May 17, 2011
High-performance scalable molecular dynamics simulations of a polarizable force field based on classical Drude oscillators in NAMDWei Jiang, David J Hardy, James C Phillips, et al.
Journal of Chemical Theory and Computation|February 28, 2012
Optimization of the CHARMM additive force field for DNA: Improved treatment of the BI/BII conformational equilibriumKatarina Hart, Nicolas Foloppe, Christopher M Baker, et al.
Journal of Chemical Information and Modeling|April 30, 2019
Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand OptimizationVincent D Ustach, Sirish Kaushik Lakkaraju, Sunhwan Jo, et al.
Bioorganic & Medicinal Chemistry|June 9, 2012
Deconstructing 14-phenylpropyloxymetopon: minimal requirements for binding to mu opioid receptorsLidiya Stavitskaya, Jihyun Shim, Jason R Healy, et al.
The Journal of Physical Chemistry. B|July 12, 2013
A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipidsJanamejaya Chowdhary, Edward Harder, Pedro E M Lopes, et al.
Pageof 41

Showing results (261-270 of 403) with videos related to

Sort By:
Pageof 41
The Journal of Physical Chemistry. B|July 26, 2006
An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayerJeffery B Klauda, Bernard R Brooks, Alexander D MacKerell, et al.
Pathogens and Disease|June 29, 2023
Identification of a novel transport system in Borrelia burgdorferi that links the inner and outer membranesHannah G Bowen, Melisha R Kenedy, David K Johnson, et al.
BMC Cancer|January 12, 2011
Characterization of ERK docking domain inhibitors that induce apoptosis by targeting Rsk-1 and caspase-9Sarice R Boston, Rahul Deshmukh, Scott Strome, et al.
Scientific Reports|January 28, 2018
Characterization of Conformational Ensembles of Protonated N-glycans in the Gas-PhaseSuyong Re, Shigehisa Watabe, Wataru Nishima, et al.
Physical Chemistry Chemical Physics : PCCP|March 21, 2020
Impact of electronic polarizability on protein-functional group interactionsHimanshu Goel, Wenbo Yu, Vincent D Ustach, et al.
The Journal of Physical Chemistry Letters|May 17, 2011
High-performance scalable molecular dynamics simulations of a polarizable force field based on classical Drude oscillators in NAMDWei Jiang, David J Hardy, James C Phillips, et al.
Journal of Chemical Theory and Computation|February 28, 2012
Optimization of the CHARMM additive force field for DNA: Improved treatment of the BI/BII conformational equilibriumKatarina Hart, Nicolas Foloppe, Christopher M Baker, et al.
Journal of Chemical Information and Modeling|April 30, 2019
Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand OptimizationVincent D Ustach, Sirish Kaushik Lakkaraju, Sunhwan Jo, et al.
Bioorganic & Medicinal Chemistry|June 9, 2012
Deconstructing 14-phenylpropyloxymetopon: minimal requirements for binding to mu opioid receptorsLidiya Stavitskaya, Jihyun Shim, Jason R Healy, et al.
The Journal of Physical Chemistry. B|July 12, 2013
A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipidsJanamejaya Chowdhary, Edward Harder, Pedro E M Lopes, et al.
Pageof 41