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Journal of Chemical Theory and Computation
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August 31, 2012
Analysis of Hydrogen Tunneling in an Enzyme Active Site using von Neumann Measurements
Isaiah Sumner, Srinivasan S Iyengar
The Journal of Physical Chemistry. B
|
February 8, 2012
Proton transport pathways in [NiFe]-hydrogenase
Isaiah Sumner, Gregory A Voth
The Journal of Physical Chemistry. A
|
September 27, 2007
Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects
Isaiah Sumner, Srinivasan S Iyengar
The Journal of Chemical Physics
|
August 14, 2008
Combining quantum wavepacket ab initio molecular dynamics with QM/MM and QM/QM techniques: Implementation blending ONIOM and empirical valence bond theory
Isaiah Sumner, Srinivasan S Iyengar
Journal of Chemical Information and Modeling
|
June 7, 2022
On the Possibility That Bond Strain Is the Mechanism of RING E3 Activation in the E2-Catalyzed Ubiquitination Reaction
Jay-Anne K Johnson, Isaiah Sumner
Journal of Chemical Theory and Computation
|
December 3, 2015
Computational Improvements to Quantum Wave Packet ab Initio Molecular Dynamics Using a Potential-Adapted, Time-Dependent Deterministic Sampling Technique
Jacek Jakowski, Isaiah Sumner, Srinivasan S Iyengar
The Journal of Physical Chemistry. B
|
June 6, 2008
Hydrogen tunneling in an enzyme active site: a quantum wavepacket dynamical perspective
Srinivasan S Iyengar, Isaiah Sumner, Jacek Jakowski
Journal of Molecular Graphics & Modelling
|
August 4, 2017
Molecular dynamics simulations reveal a new role for a conserved active site asparagine in a ubiquitin-conjugating enzyme
R Hunter Wilson, Serban Zamfir, Isaiah Sumner
The Journal of Physical Chemistry. B
|
July 31, 2012
Gauging the flexibility of the active site in soybean lipoxygenase-1 (SLO-1) through an atom-centered density matrix propagation (ADMP) treatment that facilitates the sampling of rare events
Prasad Phatak, Isaiah Sumner, Srinivasan S Iyengar
FEBS Letters
|
May 24, 2015
Mechanical dissociation of the M-band titin/obscurin complex is directionally dependent
Tracy A Caldwell, Isaiah Sumner, Nathan T Wright
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
August 31, 2012
Analysis of Hydrogen Tunneling in an Enzyme Active Site using von Neumann Measurements
Isaiah Sumner, Srinivasan S Iyengar
The Journal of Physical Chemistry. B
|
February 8, 2012
Proton transport pathways in [NiFe]-hydrogenase
Isaiah Sumner, Gregory A Voth
The Journal of Physical Chemistry. A
|
September 27, 2007
Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects
Isaiah Sumner, Srinivasan S Iyengar
The Journal of Chemical Physics
|
August 14, 2008
Combining quantum wavepacket ab initio molecular dynamics with QM/MM and QM/QM techniques: Implementation blending ONIOM and empirical valence bond theory
Isaiah Sumner, Srinivasan S Iyengar
Journal of Chemical Information and Modeling
|
June 7, 2022
On the Possibility That Bond Strain Is the Mechanism of RING E3 Activation in the E2-Catalyzed Ubiquitination Reaction
Jay-Anne K Johnson, Isaiah Sumner
Journal of Chemical Theory and Computation
|
December 3, 2015
Computational Improvements to Quantum Wave Packet ab Initio Molecular Dynamics Using a Potential-Adapted, Time-Dependent Deterministic Sampling Technique
Jacek Jakowski, Isaiah Sumner, Srinivasan S Iyengar
The Journal of Physical Chemistry. B
|
June 6, 2008
Hydrogen tunneling in an enzyme active site: a quantum wavepacket dynamical perspective
Srinivasan S Iyengar, Isaiah Sumner, Jacek Jakowski
Journal of Molecular Graphics & Modelling
|
August 4, 2017
Molecular dynamics simulations reveal a new role for a conserved active site asparagine in a ubiquitin-conjugating enzyme
R Hunter Wilson, Serban Zamfir, Isaiah Sumner
The Journal of Physical Chemistry. B
|
July 31, 2012
Gauging the flexibility of the active site in soybean lipoxygenase-1 (SLO-1) through an atom-centered density matrix propagation (ADMP) treatment that facilitates the sampling of rare events
Prasad Phatak, Isaiah Sumner, Srinivasan S Iyengar
FEBS Letters
|
May 24, 2015
Mechanical dissociation of the M-band titin/obscurin complex is directionally dependent
Tracy A Caldwell, Isaiah Sumner, Nathan T Wright
Page
of 2