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Biochemistry
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May 24, 2018
Slow-Starter Enzymes: Role of Active-Site Architecture in the Catalytic Control of the Biosynthesis of Taxadiene by Taxadiene Synthase
Tamar Ansbacher, Yehoshua Freud, Dan Thomas Major
Current Opinion in Chemical Biology
|
April 17, 2014
Catalytic control in terpenoid cyclases: multiscale modeling of thermodynamic, kinetic, and dynamic effects
Dan Thomas Major, Yehoshua Freud, Michal Weitman
The Journal of Physical Chemistry. B
|
August 13, 2021
Molecular Dynamics Simulations of the Apo and Holo States of the Copper Binding Protein CueR Reveal Principal Bending and Twisting Motions
Renana Schwartz, Sharon Ruthstein, Dan Thomas Major
Protein Science : a Publication of the Protein Society
|
October 8, 2022
Copper coordination states affect the flexibility of copper Metallochaperone Atox1: Insights from molecular dynamics simulations
Renana Schwartz, Sharon Ruthstein, Dan Thomas Major
Bioorganic & Medicinal Chemistry
|
July 19, 2016
First principles model calculations of the biosynthetic pathway in selinadiene synthase
Susanta Das, Mudit Dixit, Dan Thomas Major
Journal of Chemical Information and Modeling
|
January 18, 2026
Restraint Quality, Not Quantity, Predicts Peptide-Protein Docking Outcomes
Miriam Gulman, Jordan Chill, Dan Thomas Major
Journal of Chemical Theory and Computation
|
February 16, 2018
Rapid Convergence of Energy and Free Energy Profiles with Quantum Mechanical Size in Quantum Mechanical-Molecular Mechanical Simulations of Proton Transfer in DNA
Susanta Das, Kwangho Nam, Dan Thomas Major
Journal of Chemical Theory and Computation
|
November 22, 2015
Collective Reaction Coordinate for Hybrid Quantum and Molecular Mechanics Simulations: A Case Study of the Hydride Transfer in Dihydrofolate Reductase
Dvir Doron, Amnon Kohen, Dan Thomas Major
Journal of Chemical Theory and Computation
|
December 3, 2015
Path Integral Simulations of Proton Transfer Reactions in Aqueous Solution Using Combined QM/MM Potentials
Dan Thomas Major, Mireia Garcia-Viloca, Jiali Gao
Journal of Computational Chemistry
|
November 29, 2011
Path-integral calculations of heavy atom kinetic isotope effects in condensed phase reactions using higher-order Trotter factorizations
Alexandra Vardi-Kilshtain, Asaf Azuri, Dan Thomas Major
Page
of 7
Search research articles
Search
Showing results (11-20 of 67) with videos related to
Sort By:
Page
of 7
Biochemistry
|
May 24, 2018
Slow-Starter Enzymes: Role of Active-Site Architecture in the Catalytic Control of the Biosynthesis of Taxadiene by Taxadiene Synthase
Tamar Ansbacher, Yehoshua Freud, Dan Thomas Major
Current Opinion in Chemical Biology
|
April 17, 2014
Catalytic control in terpenoid cyclases: multiscale modeling of thermodynamic, kinetic, and dynamic effects
Dan Thomas Major, Yehoshua Freud, Michal Weitman
The Journal of Physical Chemistry. B
|
August 13, 2021
Molecular Dynamics Simulations of the Apo and Holo States of the Copper Binding Protein CueR Reveal Principal Bending and Twisting Motions
Renana Schwartz, Sharon Ruthstein, Dan Thomas Major
Protein Science : a Publication of the Protein Society
|
October 8, 2022
Copper coordination states affect the flexibility of copper Metallochaperone Atox1: Insights from molecular dynamics simulations
Renana Schwartz, Sharon Ruthstein, Dan Thomas Major
Bioorganic & Medicinal Chemistry
|
July 19, 2016
First principles model calculations of the biosynthetic pathway in selinadiene synthase
Susanta Das, Mudit Dixit, Dan Thomas Major
Journal of Chemical Information and Modeling
|
January 18, 2026
Restraint Quality, Not Quantity, Predicts Peptide-Protein Docking Outcomes
Miriam Gulman, Jordan Chill, Dan Thomas Major
Journal of Chemical Theory and Computation
|
February 16, 2018
Rapid Convergence of Energy and Free Energy Profiles with Quantum Mechanical Size in Quantum Mechanical-Molecular Mechanical Simulations of Proton Transfer in DNA
Susanta Das, Kwangho Nam, Dan Thomas Major
Journal of Chemical Theory and Computation
|
November 22, 2015
Collective Reaction Coordinate for Hybrid Quantum and Molecular Mechanics Simulations: A Case Study of the Hydride Transfer in Dihydrofolate Reductase
Dvir Doron, Amnon Kohen, Dan Thomas Major
Journal of Chemical Theory and Computation
|
December 3, 2015
Path Integral Simulations of Proton Transfer Reactions in Aqueous Solution Using Combined QM/MM Potentials
Dan Thomas Major, Mireia Garcia-Viloca, Jiali Gao
Journal of Computational Chemistry
|
November 29, 2011
Path-integral calculations of heavy atom kinetic isotope effects in condensed phase reactions using higher-order Trotter factorizations
Alexandra Vardi-Kilshtain, Asaf Azuri, Dan Thomas Major
Page
of 7