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Journal of the American Chemical Society
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June 5, 2009
Catalyzing racemizations in the absence of a cofactor: the reaction mechanism in proline racemase
Amir Rubinstein, Dan Thomas Major
Biochemistry
|
April 17, 2010
Understanding catalytic specificity in alanine racemase from quantum mechanical and molecular mechanical simulations of the arginine 219 mutant
Amir Rubinstein, Dan Thomas Major
Biochemistry
|
December 11, 2014
Understanding the reaction mechanism and intermediate stabilization in mammalian serine racemase using multiscale quantum-classical simulations
Neta Nitoker, Dan Thomas Major
Journal of Molecular Graphics & Modelling
|
June 7, 2005
Implementation of the bisection sampling method in path integral simulations
Dan Thomas Major, Jiali Gao
Journal of the American Chemical Society
|
April 17, 2010
Challenges posed to bornyl diphosphate synthase: diverging reaction mechanisms in monoterpenes
Michal Weitman, Dan Thomas Major
Journal of the American Chemical Society
|
December 15, 2006
A combined quantum mechanical and molecular mechanical study of the reaction mechanism and alpha-amino acidity in alanine racemase
Dan Thomas Major, Jiali Gao
Journal of Chemical Theory and Computation
|
December 3, 2015
An Integrated Path Integral and Free-Energy Perturbation-Umbrella Sampling Method for Computing Kinetic Isotope Effects of Chemical Reactions in Solution and in Enzymes
Dan Thomas Major, Jiali Gao
Journal of the American Chemical Society
|
October 30, 2012
Electrostatically guided dynamics--the root of fidelity in a promiscuous terpene synthase?
Dan Thomas Major, Michal Weitman
Inorganic Chemistry
|
March 25, 2016
Electronic Structure and Bonding in Co-Based Single and Mixed Valence Oxides: A Quantum Chemical Perspective
Vijay Singh, Dan Thomas Major
The Journal of Physical Chemistry. B
|
February 1, 2021
Temperature-Dependent Kinetic Isotope Effects in R67 Dihydrofolate Reductase from Path-Integral Simulations
Anil R Mhashal, Dan Thomas Major
Page
of 7
Search research articles
Search
Showing results (1-10 of 67) with videos related to
Sort By:
Page
of 7
Journal of the American Chemical Society
|
June 5, 2009
Catalyzing racemizations in the absence of a cofactor: the reaction mechanism in proline racemase
Amir Rubinstein, Dan Thomas Major
Biochemistry
|
April 17, 2010
Understanding catalytic specificity in alanine racemase from quantum mechanical and molecular mechanical simulations of the arginine 219 mutant
Amir Rubinstein, Dan Thomas Major
Biochemistry
|
December 11, 2014
Understanding the reaction mechanism and intermediate stabilization in mammalian serine racemase using multiscale quantum-classical simulations
Neta Nitoker, Dan Thomas Major
Journal of Molecular Graphics & Modelling
|
June 7, 2005
Implementation of the bisection sampling method in path integral simulations
Dan Thomas Major, Jiali Gao
Journal of the American Chemical Society
|
April 17, 2010
Challenges posed to bornyl diphosphate synthase: diverging reaction mechanisms in monoterpenes
Michal Weitman, Dan Thomas Major
Journal of the American Chemical Society
|
December 15, 2006
A combined quantum mechanical and molecular mechanical study of the reaction mechanism and alpha-amino acidity in alanine racemase
Dan Thomas Major, Jiali Gao
Journal of Chemical Theory and Computation
|
December 3, 2015
An Integrated Path Integral and Free-Energy Perturbation-Umbrella Sampling Method for Computing Kinetic Isotope Effects of Chemical Reactions in Solution and in Enzymes
Dan Thomas Major, Jiali Gao
Journal of the American Chemical Society
|
October 30, 2012
Electrostatically guided dynamics--the root of fidelity in a promiscuous terpene synthase?
Dan Thomas Major, Michal Weitman
Inorganic Chemistry
|
March 25, 2016
Electronic Structure and Bonding in Co-Based Single and Mixed Valence Oxides: A Quantum Chemical Perspective
Vijay Singh, Dan Thomas Major
The Journal of Physical Chemistry. B
|
February 1, 2021
Temperature-Dependent Kinetic Isotope Effects in R67 Dihydrofolate Reductase from Path-Integral Simulations
Anil R Mhashal, Dan Thomas Major
Page
of 7