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Biochimica Et Biophysica Acta
|
September 22, 2009
Proton transport in carbonic anhydrase: Insights from molecular simulation
C Mark Maupin, Gregory A Voth
Biochemistry
|
February 27, 2007
Preferred orientations of His64 in human carbonic anhydrase II
C Mark Maupin, Gregory A Voth
The Journal of Physical Chemistry. B
|
April 30, 2010
The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations
C Mark Maupin, Bálint Aradi, Gregory A Voth
Journal of the American Chemical Society
|
July 20, 2013
Insights into the glycyl radical enzyme active site of benzylsuccinate synthase: a computational study
Vivek S Bharadwaj, Anthony M Dean, C Mark Maupin
The Journal of Physical Chemistry. B
|
March 28, 2014
Computational evaluation of the dynamic fluctuations of peripheral loops enclosing the catalytic tunnel of a family 7 cellobiohydrolase
David M Granum, Timothy C Schutt, C Mark Maupin
Journal of Chemical Theory and Computation
|
December 1, 2015
Defining Condensed Phase Reactive Force Fields from ab Initio Molecular Dynamics Simulations: The Case of the Hydrated Excess Proton
Chris Knight, C Mark Maupin, Sergei Izvekov, et al.
Journal of the American Chemical Society
|
February 25, 2026
FragNet: A Graph Neural Network for Molecular Property Prediction with Four Levels of Interpretability
Gihan Panapitiya, Peiyuan Gao, C Mark Maupin, et al.
Journal of the American Chemical Society
|
May 15, 2009
Elucidation of the proton transport mechanism in human carbonic anhydrase II
C Mark Maupin, Robert McKenna, David N Silverman, et al.
The Journal of Physical Chemistry. B
|
April 10, 2013
Application of the SCC-DFTB method to hydroxide water clusters and aqueous hydroxide solutions
Tae Hoon Choi, Ruibin Liang, C Mark Maupin, et al.
The Journal of Physical Chemistry. B
|
December 24, 2013
Computational evaluations of charge coupling and hydrogen bonding in the active site of a family 7 cellobiohydrolase
David M Granum, Shubham Vyas, Somisetti V Sambasivarao, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
Biochimica Et Biophysica Acta
|
September 22, 2009
Proton transport in carbonic anhydrase: Insights from molecular simulation
C Mark Maupin, Gregory A Voth
Biochemistry
|
February 27, 2007
Preferred orientations of His64 in human carbonic anhydrase II
C Mark Maupin, Gregory A Voth
The Journal of Physical Chemistry. B
|
April 30, 2010
The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations
C Mark Maupin, Bálint Aradi, Gregory A Voth
Journal of the American Chemical Society
|
July 20, 2013
Insights into the glycyl radical enzyme active site of benzylsuccinate synthase: a computational study
Vivek S Bharadwaj, Anthony M Dean, C Mark Maupin
The Journal of Physical Chemistry. B
|
March 28, 2014
Computational evaluation of the dynamic fluctuations of peripheral loops enclosing the catalytic tunnel of a family 7 cellobiohydrolase
David M Granum, Timothy C Schutt, C Mark Maupin
Journal of Chemical Theory and Computation
|
December 1, 2015
Defining Condensed Phase Reactive Force Fields from ab Initio Molecular Dynamics Simulations: The Case of the Hydrated Excess Proton
Chris Knight, C Mark Maupin, Sergei Izvekov, et al.
Journal of the American Chemical Society
|
February 25, 2026
FragNet: A Graph Neural Network for Molecular Property Prediction with Four Levels of Interpretability
Gihan Panapitiya, Peiyuan Gao, C Mark Maupin, et al.
Journal of the American Chemical Society
|
May 15, 2009
Elucidation of the proton transport mechanism in human carbonic anhydrase II
C Mark Maupin, Robert McKenna, David N Silverman, et al.
The Journal of Physical Chemistry. B
|
April 10, 2013
Application of the SCC-DFTB method to hydroxide water clusters and aqueous hydroxide solutions
Tae Hoon Choi, Ruibin Liang, C Mark Maupin, et al.
The Journal of Physical Chemistry. B
|
December 24, 2013
Computational evaluations of charge coupling and hydrogen bonding in the active site of a family 7 cellobiohydrolase
David M Granum, Shubham Vyas, Somisetti V Sambasivarao, et al.
Page
of 4