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Nature Chemistry
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January 22, 2020
Confluence of theory and experiment reveals the catalytic mechanism of the Varkud satellite ribozyme
Abir Ganguly, Benjamin P Weissman, Timothy J Giese, et al.
ACS Catalysis
|
October 24, 2024
The Role of General Acid Catalysis in the Mechanism of an Alkyl Transferase Ribozyme
Timothy J Wilson, Erika McCarthy, Şölen Ekesan, et al.
Journal of Chemical Information and Modeling
|
January 17, 2026
A Relative Binding Free Energy Framework for Structurally Dissimilar Molecules
Hsu-Chun Tsai, Shi Zhang, Tai-Sung Lee, et al.
The Journal of Chemical Physics
|
June 10, 2024
Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
Yujun Tao, Timothy J Giese, Şölen Ekesan, et al.
Journal of Chemical Information and Modeling
|
September 11, 2018
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
Tai-Sung Lee, David S Cerutti, Dan Mermelstein, et al.
Journal of the American Chemical Society
|
January 27, 2023
Dissociative Transition State in Hepatitis Delta Virus Ribozyme Catalysis
Benjamin Weissman, Şölen Ekesan, Hsuan-Chun Lin, et al.
Journal of Chemical Theory and Computation
|
July 2, 2013
A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields
Timothy J Giese, Haoyuan Chen, Thakshila Dissanayake, et al.
Journal of Chemical Information and Modeling
|
March 9, 2026
Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization
Alejandro Blanco-Gonzalez, William Betancourt, Ryan Michael Snyder, et al.
Journal of Chemical Information and Modeling
|
September 16, 2020
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
Tai-Sung Lee, Bryce K Allen, Timothy J Giese, et al.
Journal of Molecular Graphics & Modelling
|
April 4, 2006
QCRNA 1.0: a database of quantum calculations for RNA catalysis
Timothy J Giese, Brent A Gregersen, Yun Liu, et al.
Page
of 7
Search research articles
Search
Showing results (51-60 of 63) with videos related to
Sort By:
Page
of 7
Nature Chemistry
|
January 22, 2020
Confluence of theory and experiment reveals the catalytic mechanism of the Varkud satellite ribozyme
Abir Ganguly, Benjamin P Weissman, Timothy J Giese, et al.
ACS Catalysis
|
October 24, 2024
The Role of General Acid Catalysis in the Mechanism of an Alkyl Transferase Ribozyme
Timothy J Wilson, Erika McCarthy, Şölen Ekesan, et al.
Journal of Chemical Information and Modeling
|
January 17, 2026
A Relative Binding Free Energy Framework for Structurally Dissimilar Molecules
Hsu-Chun Tsai, Shi Zhang, Tai-Sung Lee, et al.
The Journal of Chemical Physics
|
June 10, 2024
Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
Yujun Tao, Timothy J Giese, Şölen Ekesan, et al.
Journal of Chemical Information and Modeling
|
September 11, 2018
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features
Tai-Sung Lee, David S Cerutti, Dan Mermelstein, et al.
Journal of the American Chemical Society
|
January 27, 2023
Dissociative Transition State in Hepatitis Delta Virus Ribozyme Catalysis
Benjamin Weissman, Şölen Ekesan, Hsuan-Chun Lin, et al.
Journal of Chemical Theory and Computation
|
July 2, 2013
A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields
Timothy J Giese, Haoyuan Chen, Thakshila Dissanayake, et al.
Journal of Chemical Information and Modeling
|
March 9, 2026
Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization
Alejandro Blanco-Gonzalez, William Betancourt, Ryan Michael Snyder, et al.
Journal of Chemical Information and Modeling
|
September 16, 2020
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
Tai-Sung Lee, Bryce K Allen, Timothy J Giese, et al.
Journal of Molecular Graphics & Modelling
|
April 4, 2006
QCRNA 1.0: a database of quantum calculations for RNA catalysis
Timothy J Giese, Brent A Gregersen, Yun Liu, et al.
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of 7