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Journal of Computational Chemistry
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May 7, 2015
Nucleic acid reactivity: challenges for next-generation semiempirical quantum models
Ming Huang, Timothy J Giese, Darrin M York
The Journal of Physical Chemistry. A
|
March 30, 2021
Extension of the Variational Free Energy Profile and Multistate Bennett Acceptance Ratio Methods for High-Dimensional Potential of Mean Force Profile Analysis
Timothy J Giese, Şölen Ekesan, Darrin M York
The Journal of Chemical Physics
|
May 2, 2016
VR-SCOSMO: A smooth conductor-like screening model with charge-dependent radii for modeling chemical reactions
Erich R Kuechler, Timothy J Giese, Darrin M York
ACS Catalysis
|
July 23, 2019
Cleaning Up Mechanistic Debris Generated by Twister Ribozymes Using Computational RNA Enzymology
Colin S Gaines, Timothy J Giese, Darrin M York
The Journal of Chemical Physics
|
December 24, 2015
Charge-dependent many-body exchange and dispersion interactions in combined QM/MM simulations
Erich R Kuechler, Timothy J Giese, Darrin M York
Journal of Chemical Theory and Computation
|
June 16, 2022
Combined QM/MM, Machine Learning Path Integral Approach to Compute Free Energy Profiles and Kinetic Isotope Effects in RNA Cleavage Reactions
Timothy J Giese, Jinzhe Zeng, Şölen Ekesan, et al.
Journal of Chemical Theory and Computation
|
May 8, 2014
Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions
Timothy J Giese, Haoyuan Chen, Ming Huang, et al.
The Journal of Chemical Physics
|
April 1, 2023
Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states
Jinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
Journal of Chemical Theory and Computation
|
January 25, 2023
QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery
Jinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
Accounts of Chemical Research
|
June 18, 2014
Recent advances toward a general purpose linear-scaling quantum force field
Timothy J Giese, Ming Huang, Haoyuan Chen, et al.
Page
of 7
Search research articles
Search
Showing results (21-30 of 63) with videos related to
Sort By:
Page
of 7
Journal of Computational Chemistry
|
May 7, 2015
Nucleic acid reactivity: challenges for next-generation semiempirical quantum models
Ming Huang, Timothy J Giese, Darrin M York
The Journal of Physical Chemistry. A
|
March 30, 2021
Extension of the Variational Free Energy Profile and Multistate Bennett Acceptance Ratio Methods for High-Dimensional Potential of Mean Force Profile Analysis
Timothy J Giese, Şölen Ekesan, Darrin M York
The Journal of Chemical Physics
|
May 2, 2016
VR-SCOSMO: A smooth conductor-like screening model with charge-dependent radii for modeling chemical reactions
Erich R Kuechler, Timothy J Giese, Darrin M York
ACS Catalysis
|
July 23, 2019
Cleaning Up Mechanistic Debris Generated by Twister Ribozymes Using Computational RNA Enzymology
Colin S Gaines, Timothy J Giese, Darrin M York
The Journal of Chemical Physics
|
December 24, 2015
Charge-dependent many-body exchange and dispersion interactions in combined QM/MM simulations
Erich R Kuechler, Timothy J Giese, Darrin M York
Journal of Chemical Theory and Computation
|
June 16, 2022
Combined QM/MM, Machine Learning Path Integral Approach to Compute Free Energy Profiles and Kinetic Isotope Effects in RNA Cleavage Reactions
Timothy J Giese, Jinzhe Zeng, Şölen Ekesan, et al.
Journal of Chemical Theory and Computation
|
May 8, 2014
Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions
Timothy J Giese, Haoyuan Chen, Ming Huang, et al.
The Journal of Chemical Physics
|
April 1, 2023
Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states
Jinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
Journal of Chemical Theory and Computation
|
January 25, 2023
QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery
Jinzhe Zeng, Yujun Tao, Timothy J Giese, et al.
Accounts of Chemical Research
|
June 18, 2014
Recent advances toward a general purpose linear-scaling quantum force field
Timothy J Giese, Ming Huang, Haoyuan Chen, et al.
Page
of 7