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Alexander D Mackerell

Showing results (131-140 of 402) with videos related to

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The Journal of Physical Chemistry. B|July 21, 2006
Polarizable empirical force field for alkanes based on the classical Drude oscillator modelIgor V Vorobyov, Victor M Anisimov, Alexander D MacKerell
Journal of Computational Chemistry|December 19, 2008
Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillatorPedro E M Lopes, Guillaume Lamoureux, Alexander D Mackerell
Wiley Interdisciplinary Reviews. Computational Molecular Science|October 16, 2012
Recent Developments and Applications of the CHARMM force fieldsXiao Zhu, Pedro E M Lopes, Alexander D Mackerell
Journal of Computational Chemistry|July 24, 2012
Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulationsWenbo Yu, Xibing He, Kenno Vanommeslaeghe, et al.
Biopolymers|January 11, 2007
DNA bending induced by carbocyclic sugar analogs constrained to the north conformationAlba T Macias, Nilesh K Banavali, Alexander D MacKerell
Journal of Molecular Modeling|May 25, 2020
Balanced polarizable Drude force field parameters for molecular anions: phosphates, sulfates, sulfamates, and oxidesAbhishek A Kognole, Asaminew H Aytenfisu, Alexander D MacKerell
Journal of Chemical Theory and Computation|May 7, 2010
Re-evaluation of the reported experimental values of the heat of vaporization of N-methylacetamideAlexander D Mackerell, Ji Hyun Shim, Victor M Anisimov
The Journal of Physical Chemistry. A|July 4, 2018
Classical Drude Polarizable Force Field Model for Methyl Phosphate and Its Interactions with Mg<sup>2</sup>Francesco Villa, Alexander D MacKerell, Benoît Roux, et al.
Journal of Chemical Information and Computer Sciences|January 28, 2003
Consideration of molecular weight during compound selection in virtual target-based database screeningYongping Pan, Niu Huang, Sam Cho, et al.
Methods in Molecular Biology (Clifton, N.J.)|October 22, 2014
Current status of protein force fields for molecular dynamics simulationsPedro E M Lopes, Olgun Guvench, Alexander D MacKerell
Pageof 41

Showing results (131-140 of 402) with videos related to

Sort By:
Pageof 41
The Journal of Physical Chemistry. B|July 21, 2006
Polarizable empirical force field for alkanes based on the classical Drude oscillator modelIgor V Vorobyov, Victor M Anisimov, Alexander D MacKerell
Journal of Computational Chemistry|December 19, 2008
Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillatorPedro E M Lopes, Guillaume Lamoureux, Alexander D Mackerell
Wiley Interdisciplinary Reviews. Computational Molecular Science|October 16, 2012
Recent Developments and Applications of the CHARMM force fieldsXiao Zhu, Pedro E M Lopes, Alexander D Mackerell
Journal of Computational Chemistry|July 24, 2012
Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulationsWenbo Yu, Xibing He, Kenno Vanommeslaeghe, et al.
Biopolymers|January 11, 2007
DNA bending induced by carbocyclic sugar analogs constrained to the north conformationAlba T Macias, Nilesh K Banavali, Alexander D MacKerell
Journal of Molecular Modeling|May 25, 2020
Balanced polarizable Drude force field parameters for molecular anions: phosphates, sulfates, sulfamates, and oxidesAbhishek A Kognole, Asaminew H Aytenfisu, Alexander D MacKerell
Journal of Chemical Theory and Computation|May 7, 2010
Re-evaluation of the reported experimental values of the heat of vaporization of N-methylacetamideAlexander D Mackerell, Ji Hyun Shim, Victor M Anisimov
The Journal of Physical Chemistry. A|July 4, 2018
Classical Drude Polarizable Force Field Model for Methyl Phosphate and Its Interactions with Mg<sup>2</sup>Francesco Villa, Alexander D MacKerell, Benoît Roux, et al.
Journal of Chemical Information and Computer Sciences|January 28, 2003
Consideration of molecular weight during compound selection in virtual target-based database screeningYongping Pan, Niu Huang, Sam Cho, et al.
Methods in Molecular Biology (Clifton, N.J.)|October 22, 2014
Current status of protein force fields for molecular dynamics simulationsPedro E M Lopes, Olgun Guvench, Alexander D MacKerell
Pageof 41