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Alexander D Mackerell

Showing results (21-30 of 402) with videos related to

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The Journal of Physical Chemistry. B|March 10, 2015
Competition among Li(+), Na(+), K(+), and Rb(+) monovalent ions for DNA in molecular dynamics simulations using the additive CHARMM36 and Drude polarizable force fieldsAlexey Savelyev, Alexander D MacKerell
Journal of Chemical Theory and Computation|April 8, 2024
Balancing Group I Monatomic Ion-Polar Compound Interactions for Condensed Phase Simulation in the Polarizable Drude Force FieldYiling Nan, Alexander D MacKerell
Current Opinion in Structural Biology|October 29, 2017
Force field development and simulations of intrinsically disordered proteinsJing Huang, Alexander D MacKerell
The Journal of Physical Chemistry. B|May 29, 2015
CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosidesMadhurima Jana, Alexander D MacKerell
Journal of Chemical Theory and Computation|November 18, 2015
Differential Deformability of the DNA Minor Groove and Altered BI/BII Backbone Conformational Equilibrium by the Monovalent Ions Li(+), Na(+), K(+), and Rb(+) via Water-Mediated Hydrogen BondingAlexey Savelyev, Alexander D MacKerell
Current Opinion in Structural Biology|January 24, 2009
Computational evaluation of protein-small molecule bindingOlgun Guvench, Alexander D MacKerell
Biophysical Journal|August 21, 2014
Induction of peptide bond dipoles drives cooperative helix formation in the (AAQAA)3 peptideJing Huang, Alexander D MacKerell
Journal of Computational Chemistry|July 9, 2013
CHARMM36 all-atom additive protein force field: validation based on comparison to NMR dataJing Huang, Alexander D MacKerell
Methods in Molecular Biology (Clifton, N.J.)|May 1, 2008
Comparison of protein force fields for molecular dynamics simulationsOlgun Guvench, Alexander D MacKerell
The Journal of Physical Chemistry. B|May 31, 2014
Balancing the interactions of ions, water, and DNA in the Drude polarizable force fieldAlexey Savelyev, Alexander D MacKerell
Pageof 41

Showing results (21-30 of 402) with videos related to

Sort By:
Pageof 41
The Journal of Physical Chemistry. B|March 10, 2015
Competition among Li(+), Na(+), K(+), and Rb(+) monovalent ions for DNA in molecular dynamics simulations using the additive CHARMM36 and Drude polarizable force fieldsAlexey Savelyev, Alexander D MacKerell
Journal of Chemical Theory and Computation|April 8, 2024
Balancing Group I Monatomic Ion-Polar Compound Interactions for Condensed Phase Simulation in the Polarizable Drude Force FieldYiling Nan, Alexander D MacKerell
Current Opinion in Structural Biology|October 29, 2017
Force field development and simulations of intrinsically disordered proteinsJing Huang, Alexander D MacKerell
The Journal of Physical Chemistry. B|May 29, 2015
CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosidesMadhurima Jana, Alexander D MacKerell
Journal of Chemical Theory and Computation|November 18, 2015
Differential Deformability of the DNA Minor Groove and Altered BI/BII Backbone Conformational Equilibrium by the Monovalent Ions Li(+), Na(+), K(+), and Rb(+) via Water-Mediated Hydrogen BondingAlexey Savelyev, Alexander D MacKerell
Current Opinion in Structural Biology|January 24, 2009
Computational evaluation of protein-small molecule bindingOlgun Guvench, Alexander D MacKerell
Biophysical Journal|August 21, 2014
Induction of peptide bond dipoles drives cooperative helix formation in the (AAQAA)3 peptideJing Huang, Alexander D MacKerell
Journal of Computational Chemistry|July 9, 2013
CHARMM36 all-atom additive protein force field: validation based on comparison to NMR dataJing Huang, Alexander D MacKerell
Methods in Molecular Biology (Clifton, N.J.)|May 1, 2008
Comparison of protein force fields for molecular dynamics simulationsOlgun Guvench, Alexander D MacKerell
The Journal of Physical Chemistry. B|May 31, 2014
Balancing the interactions of ions, water, and DNA in the Drude polarizable force fieldAlexey Savelyev, Alexander D MacKerell
Pageof 41