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The Journal of Physical Chemistry. A
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May 18, 2007
pKa analysis for the zinc-bound water in human carbonic anhydrase II: Benchmark for "multiscale" QM/MM simulations and mechanistic implications
Demian Riccardi, Qiang Cui
The Journal of Physical Chemistry. B
|
July 21, 2006
pKa calculations in solution and proteins with QM/MM free energy perturbation simulations: a quantitative test of QM/MM protocols
Demian Riccardi, Patricia Schaefer, Qiang Cui
The Journal of Physical Chemistry. B
|
October 28, 2008
Importance of van der Waals Interactions in QM/MM Simulations
Demian Riccardi, Guohui Li, Qiang Cui
Biochimica Et Biophysica Acta
|
August 15, 2009
Proton transfer function of carbonic anhydrase: Insights from QM/MM simulations
Demian Riccardi, Shuo Yang, Qiang Cui
Physical Review Letters
|
October 12, 2025
Entropic Modulation of Divalent Cation Transport
Yechan Noh, Demian Riccardi, Alex Smolyanitsky
Journal of Molecular Biology
|
October 8, 2023
Activation Loop Plasticity and Active Site Coupling in the MAP Kinase, ERK2
Laurel Pegram, Demian Riccardi, Natalie Ahn
Biorxiv : the Preprint Server for Biology
|
April 24, 2023
Activation loop plasticity and active site coupling in the MAP kinase, ERK2
Laurel Pegram, Demian Riccardi, Natalie Ahn
The Journal of Chemical Physics
|
July 23, 2005
Reliable treatment of electrostatics in combined QM/MM simulation of macromolecules
Patricia Schaefer, Demian Riccardi, Qiang Cui
Journal of Chemical Information and Modeling
|
January 30, 2019
Cys.sqlite: A Structured-Information Approach to the Comprehensive Analysis of Cysteine Disulfide Bonds in the Protein Databank
Theodore L Fobe, Andrei Kazakov, Demian Riccardi
Biophysical Journal
|
January 27, 2009
Application of elastic network models to proteins in the crystalline state
Demian Riccardi, Qiang Cui, George N Phillips
Page
of 3
Search research articles
Search
Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
May 18, 2007
pKa analysis for the zinc-bound water in human carbonic anhydrase II: Benchmark for "multiscale" QM/MM simulations and mechanistic implications
Demian Riccardi, Qiang Cui
The Journal of Physical Chemistry. B
|
July 21, 2006
pKa calculations in solution and proteins with QM/MM free energy perturbation simulations: a quantitative test of QM/MM protocols
Demian Riccardi, Patricia Schaefer, Qiang Cui
The Journal of Physical Chemistry. B
|
October 28, 2008
Importance of van der Waals Interactions in QM/MM Simulations
Demian Riccardi, Guohui Li, Qiang Cui
Biochimica Et Biophysica Acta
|
August 15, 2009
Proton transfer function of carbonic anhydrase: Insights from QM/MM simulations
Demian Riccardi, Shuo Yang, Qiang Cui
Physical Review Letters
|
October 12, 2025
Entropic Modulation of Divalent Cation Transport
Yechan Noh, Demian Riccardi, Alex Smolyanitsky
Journal of Molecular Biology
|
October 8, 2023
Activation Loop Plasticity and Active Site Coupling in the MAP Kinase, ERK2
Laurel Pegram, Demian Riccardi, Natalie Ahn
Biorxiv : the Preprint Server for Biology
|
April 24, 2023
Activation loop plasticity and active site coupling in the MAP kinase, ERK2
Laurel Pegram, Demian Riccardi, Natalie Ahn
The Journal of Chemical Physics
|
July 23, 2005
Reliable treatment of electrostatics in combined QM/MM simulation of macromolecules
Patricia Schaefer, Demian Riccardi, Qiang Cui
Journal of Chemical Information and Modeling
|
January 30, 2019
Cys.sqlite: A Structured-Information Approach to the Comprehensive Analysis of Cysteine Disulfide Bonds in the Protein Databank
Theodore L Fobe, Andrei Kazakov, Demian Riccardi
Biophysical Journal
|
January 27, 2009
Application of elastic network models to proteins in the crystalline state
Demian Riccardi, Qiang Cui, George N Phillips
Page
of 3