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Journal of Chemical Theory and Computation
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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
Biochemistry
|
May 23, 2013
Quantum and classical simulations of orotidine monophosphate decarboxylase: support for a direct decarboxylation mechanism
Alexandra Vardi-Kilshtain, Dvir Doron, Dan Thomas Major
Journal of Chemical Theory and Computation
|
May 27, 2014
How Accurate Are Transition States from Simulations of Enzymatic Reactions?
Dvir Doron, Amnon Kohen, Kwangho Nam, et al.
Journal of Computational Chemistry
|
May 7, 2014
Simulations of remote mutants of dihydrofolate reductase reveal the nature of a network of residues coupled to hydride transfer
Daniel Roston, Amnon Kohen, Dvir Doron, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Path-Integral Calculations of Nuclear Quantum Effects in Model Systems, Small Molecules, and Enzymes via Gradient-Based Forward Corrector Algorithms
Asaf Azuri, Hamutal Engel, Dvir Doron, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Momentum Distribution as a Fingerprint of Quantum Delocalization in Enzymatic Reactions: Open-Chain Path-Integral Simulations of Model Systems and the Hydride Transfer in Dihydrofolate Reductase
Hamutal Engel, Dvir Doron, Amnon Kohen, et al.
Journal of Medicinal Chemistry
|
November 15, 2008
Novel multifunctional acyloxyalkyl ester prodrugs of 5-aminolevulinic acid display improved anticancer activity independent and dependent on photoactivation
Gili Berkovitch, Dvir Doron, Abraham Nudelman, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Hybrid Quantum and Classical Simulations of the Dihydrofolate Reductase Catalyzed Hydride Transfer Reaction on an Accurate Semi-Empirical Potential Energy Surface
Dvir Doron, Dan Thomas Major, Amnon Kohen, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Hybrid Quantum and Classical Simulations of the Formate Dehydrogenase Catalyzed Hydride Transfer Reaction on an Accurate Semiempirical Potential Energy Surface
Alexandra Vardi-Kilshtain, Dan Thomas Major, Amnon Kohen, et al.
The Journal of Physical Chemistry. B
|
November 11, 2014
Free energy simulations of active-site mutants of dihydrofolate reductase
Dvir Doron, Vanja Stojković, Lokesh Gakhar, et al.
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Search research articles
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Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
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
Biochemistry
|
May 23, 2013
Quantum and classical simulations of orotidine monophosphate decarboxylase: support for a direct decarboxylation mechanism
Alexandra Vardi-Kilshtain, Dvir Doron, Dan Thomas Major
Journal of Chemical Theory and Computation
|
May 27, 2014
How Accurate Are Transition States from Simulations of Enzymatic Reactions?
Dvir Doron, Amnon Kohen, Kwangho Nam, et al.
Journal of Computational Chemistry
|
May 7, 2014
Simulations of remote mutants of dihydrofolate reductase reveal the nature of a network of residues coupled to hydride transfer
Daniel Roston, Amnon Kohen, Dvir Doron, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Path-Integral Calculations of Nuclear Quantum Effects in Model Systems, Small Molecules, and Enzymes via Gradient-Based Forward Corrector Algorithms
Asaf Azuri, Hamutal Engel, Dvir Doron, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Momentum Distribution as a Fingerprint of Quantum Delocalization in Enzymatic Reactions: Open-Chain Path-Integral Simulations of Model Systems and the Hydride Transfer in Dihydrofolate Reductase
Hamutal Engel, Dvir Doron, Amnon Kohen, et al.
Journal of Medicinal Chemistry
|
November 15, 2008
Novel multifunctional acyloxyalkyl ester prodrugs of 5-aminolevulinic acid display improved anticancer activity independent and dependent on photoactivation
Gili Berkovitch, Dvir Doron, Abraham Nudelman, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Hybrid Quantum and Classical Simulations of the Dihydrofolate Reductase Catalyzed Hydride Transfer Reaction on an Accurate Semi-Empirical Potential Energy Surface
Dvir Doron, Dan Thomas Major, Amnon Kohen, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Hybrid Quantum and Classical Simulations of the Formate Dehydrogenase Catalyzed Hydride Transfer Reaction on an Accurate Semiempirical Potential Energy Surface
Alexandra Vardi-Kilshtain, Dan Thomas Major, Amnon Kohen, et al.
The Journal of Physical Chemistry. B
|
November 11, 2014
Free energy simulations of active-site mutants of dihydrofolate reductase
Dvir Doron, Vanja Stojković, Lokesh Gakhar, et al.
Page
of 2