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Donald Hamelberg

Showing results (31-40 of 104) with videos related to

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The Journal of Physical Chemistry. B|June 2, 2017
Allosteric Fine-Tuning of the Binding Pocket Dynamics in the ITK SH2 Domain by a Distal Molecular Switch: An Atomistic PerspectiveMohamed Momin, Yao Xin, Donald Hamelberg
Biochemistry|September 5, 2009
The cluster of hydrophobic residues controls the entrance to the active site of choline oxidaseYao Xin, Giovanni Gadda, Donald Hamelberg
Journal of Chemical Theory and Computation|November 18, 2015
Pushing the Limits of a Molecular Mechanics Force Field To Probe Weak CH···π Interactions in ProteinsArghya Barman, Bruce Batiste, Donald Hamelberg
The Journal of Chemical Physics|June 17, 2010
Examining the limits of time reweighting and Kramers' rate theory to obtain correct kinetics from accelerated molecular dynamicsYao Xin, Urmi Doshi, Donald Hamelberg
The Journal of Chemical Physics|July 23, 2005
Relating kinetic rates and local energetic roughness by accelerated molecular-dynamics simulationsDonald Hamelberg, Tongye Shen, J Andrew McCammon
Journal of Chemical Information and Modeling|June 7, 2023
Evolving Mutational Buildup in HIV-1 Protease Shifts Conformational Dynamics to Gain Drug ResistanceMichael Souffrant, Xin-Qiu Yao, Donald Hamelberg
Journal of the American Chemical Society|February 11, 2005
Phosphorylation effects on cis/trans isomerization and the backbone conformation of serine-proline motifs: accelerated molecular dynamics analysisDonald Hamelberg, Tongye Shen, J Andrew McCammon
The Journal of Chemical Physics|September 13, 2006
Insight into the role of hydration on protein dynamicsDonald Hamelberg, Tongye Shen, J Andrew McCammon
RNA (New York, N.Y.)|December 24, 2011
Atomic-level insights into metabolite recognition and specificity of the SAM-II riboswitchUrmi Doshi, Jennifer M Kelley, Donald Hamelberg
The Journal of Chemical Physics|July 23, 2004
Accelerated molecular dynamics: a promising and efficient simulation method for biomoleculesDonald Hamelberg, John Mongan, J Andrew McCammon
Pageof 11

Showing results (31-40 of 104) with videos related to

Sort By:
Pageof 11
The Journal of Physical Chemistry. B|June 2, 2017
Allosteric Fine-Tuning of the Binding Pocket Dynamics in the ITK SH2 Domain by a Distal Molecular Switch: An Atomistic PerspectiveMohamed Momin, Yao Xin, Donald Hamelberg
Biochemistry|September 5, 2009
The cluster of hydrophobic residues controls the entrance to the active site of choline oxidaseYao Xin, Giovanni Gadda, Donald Hamelberg
Journal of Chemical Theory and Computation|November 18, 2015
Pushing the Limits of a Molecular Mechanics Force Field To Probe Weak CH···π Interactions in ProteinsArghya Barman, Bruce Batiste, Donald Hamelberg
The Journal of Chemical Physics|June 17, 2010
Examining the limits of time reweighting and Kramers' rate theory to obtain correct kinetics from accelerated molecular dynamicsYao Xin, Urmi Doshi, Donald Hamelberg
The Journal of Chemical Physics|July 23, 2005
Relating kinetic rates and local energetic roughness by accelerated molecular-dynamics simulationsDonald Hamelberg, Tongye Shen, J Andrew McCammon
Journal of Chemical Information and Modeling|June 7, 2023
Evolving Mutational Buildup in HIV-1 Protease Shifts Conformational Dynamics to Gain Drug ResistanceMichael Souffrant, Xin-Qiu Yao, Donald Hamelberg
Journal of the American Chemical Society|February 11, 2005
Phosphorylation effects on cis/trans isomerization and the backbone conformation of serine-proline motifs: accelerated molecular dynamics analysisDonald Hamelberg, Tongye Shen, J Andrew McCammon
The Journal of Chemical Physics|September 13, 2006
Insight into the role of hydration on protein dynamicsDonald Hamelberg, Tongye Shen, J Andrew McCammon
RNA (New York, N.Y.)|December 24, 2011
Atomic-level insights into metabolite recognition and specificity of the SAM-II riboswitchUrmi Doshi, Jennifer M Kelley, Donald Hamelberg
The Journal of Chemical Physics|July 23, 2004
Accelerated molecular dynamics: a promising and efficient simulation method for biomoleculesDonald Hamelberg, John Mongan, J Andrew McCammon
Pageof 11