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Alexander D MacKerell

Showing results (1-10 of 402) with videos related to

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Biophysical Journal|November 3, 2019
Ions Everywhere? Mg<sup>2+</sup> in the μ-Opioid GPCR and Atomic Details of Their Impact on FunctionAlexander D MacKerell
The Journal of Physical Chemistry. B|August 27, 2009
Contribution of the intrinsic mechanical energy of the phosphodiester linkage to the relative stability of the A, BI, and BII forms of duplex DNAAlexander D MacKerell
Journal of Computational Chemistry|July 21, 2004
Empirical force fields for biological macromolecules: overview and issuesAlexander D Mackerell
Nucleic Acids Research|December 5, 2003
Altered structural fluctuations in duplex RNA versus DNA: a conformational switch involving base pair openingYongping Pan, Alexander D MacKerell
Journal of Chemical Information and Modeling|September 29, 2007
Binding response: a descriptor for selecting ligand binding site on protein surfacesShijun Zhong, Alexander D MacKerell
Plos Computational Biology|July 14, 2009
Computational fragment-based binding site identification by ligand competitive saturationOlgun Guvench, Alexander D MacKerell
Journal of Computational Chemistry|June 25, 2010
Polarizable empirical force field for sulfur-containing compounds based on the classical Drude oscillator modelXiao Zhu, Alexander D MacKerell
Medchemcomm|July 1, 2011
Computational ligand-based rational design: Role of conformational sampling and force fields in model developmentJihyun Shim, Alexander D Mackerell
Journal of Computational Chemistry|April 23, 2014
All-atom polarizable force field for DNA based on the classical Drude oscillator modelAlexey Savelyev, Alexander D MacKerell
The Journal of Physical Chemistry. B|May 1, 2024
FFParam-v2.0: A Comprehensive Tool for CHARMM Additive and Drude Polarizable Force-Field Parameter Optimization and ValidationAnmol Kumar, Alexander D MacKerell
Pageof 41

Showing results (1-10 of 402) with videos related to

Sort By:
Pageof 41
Biophysical Journal|November 3, 2019
Ions Everywhere? Mg<sup>2+</sup> in the μ-Opioid GPCR and Atomic Details of Their Impact on FunctionAlexander D MacKerell
The Journal of Physical Chemistry. B|August 27, 2009
Contribution of the intrinsic mechanical energy of the phosphodiester linkage to the relative stability of the A, BI, and BII forms of duplex DNAAlexander D MacKerell
Journal of Computational Chemistry|July 21, 2004
Empirical force fields for biological macromolecules: overview and issuesAlexander D Mackerell
Nucleic Acids Research|December 5, 2003
Altered structural fluctuations in duplex RNA versus DNA: a conformational switch involving base pair openingYongping Pan, Alexander D MacKerell
Journal of Chemical Information and Modeling|September 29, 2007
Binding response: a descriptor for selecting ligand binding site on protein surfacesShijun Zhong, Alexander D MacKerell
Plos Computational Biology|July 14, 2009
Computational fragment-based binding site identification by ligand competitive saturationOlgun Guvench, Alexander D MacKerell
Journal of Computational Chemistry|June 25, 2010
Polarizable empirical force field for sulfur-containing compounds based on the classical Drude oscillator modelXiao Zhu, Alexander D MacKerell
Medchemcomm|July 1, 2011
Computational ligand-based rational design: Role of conformational sampling and force fields in model developmentJihyun Shim, Alexander D Mackerell
Journal of Computational Chemistry|April 23, 2014
All-atom polarizable force field for DNA based on the classical Drude oscillator modelAlexey Savelyev, Alexander D MacKerell
The Journal of Physical Chemistry. B|May 1, 2024
FFParam-v2.0: A Comprehensive Tool for CHARMM Additive and Drude Polarizable Force-Field Parameter Optimization and ValidationAnmol Kumar, Alexander D MacKerell
Pageof 41