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Journal of Chemical Information and Modeling
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October 8, 2024
Eliminating the Deadwood: A Machine Learning Model for CCS Knowledge-Based Conformational Focusing for Lipids
Mithony Keng, Kenneth M Merz
Journal of Chemical Theory and Computation
|
September 9, 2024
Partial to Total Generation of 3D Transition-Metal Complexes
Hongni Jin, Kenneth M Merz
The Journal of Physical Chemistry. B
|
May 19, 2007
The hydrolysis of amides and the proficiency of amidohydrolases. The burden borne by kw
Guillermina Estiu, Kenneth M Merz
Journal of Chemical Information and Modeling
|
February 26, 2016
MCPB.py: A Python Based Metal Center Parameter Builder
Pengfei Li, Kenneth M Merz
Journal of Chemical Information and Modeling
|
July 8, 2025
State Ensemble Energy Recognition (SEER): A Hybrid Gas-Phase Molecular Charge State Predictor
Mithony Keng, Kenneth M Merz
Journal of Chemical Theory and Computation
|
April 14, 2022
Systematic Evaluation of Ion Diffusion and Water Exchange
Zhen Li, Kenneth M Merz
Journal of the American Chemical Society
|
September 24, 2004
Enzymatic catalysis of urea decomposition: elimination or hydrolysis?
Guillermina Estiu, Kenneth M Merz
Journal of Chemical Theory and Computation
|
November 21, 2015
Acceleration of Electron Repulsion Integral Evaluation on Graphics Processing Units via Use of Recurrence Relations
Yipu Miao, Kenneth M Merz
Journal of Chemical Theory and Computation
|
December 3, 2015
A Fast QM/MM (Quantum Mechanical/Molecular Mechanical) Approach to Calculate Nuclear Magnetic Resonance Chemical Shifts for Macromolecules
Bing Wang, Kenneth M Merz
Journal of Chemical Theory and Computation
|
November 18, 2015
Acceleration of High Angular Momentum Electron Repulsion Integrals and Integral Derivatives on Graphics Processing Units
Yipu Miao, Kenneth M Merz
Page
of 34
Search research articles
Search
Showing results (11-20 of 332) with videos related to
Sort By:
Page
of 34
Journal of Chemical Information and Modeling
|
October 8, 2024
Eliminating the Deadwood: A Machine Learning Model for CCS Knowledge-Based Conformational Focusing for Lipids
Mithony Keng, Kenneth M Merz
Journal of Chemical Theory and Computation
|
September 9, 2024
Partial to Total Generation of 3D Transition-Metal Complexes
Hongni Jin, Kenneth M Merz
The Journal of Physical Chemistry. B
|
May 19, 2007
The hydrolysis of amides and the proficiency of amidohydrolases. The burden borne by kw
Guillermina Estiu, Kenneth M Merz
Journal of Chemical Information and Modeling
|
February 26, 2016
MCPB.py: A Python Based Metal Center Parameter Builder
Pengfei Li, Kenneth M Merz
Journal of Chemical Information and Modeling
|
July 8, 2025
State Ensemble Energy Recognition (SEER): A Hybrid Gas-Phase Molecular Charge State Predictor
Mithony Keng, Kenneth M Merz
Journal of Chemical Theory and Computation
|
April 14, 2022
Systematic Evaluation of Ion Diffusion and Water Exchange
Zhen Li, Kenneth M Merz
Journal of the American Chemical Society
|
September 24, 2004
Enzymatic catalysis of urea decomposition: elimination or hydrolysis?
Guillermina Estiu, Kenneth M Merz
Journal of Chemical Theory and Computation
|
November 21, 2015
Acceleration of Electron Repulsion Integral Evaluation on Graphics Processing Units via Use of Recurrence Relations
Yipu Miao, Kenneth M Merz
Journal of Chemical Theory and Computation
|
December 3, 2015
A Fast QM/MM (Quantum Mechanical/Molecular Mechanical) Approach to Calculate Nuclear Magnetic Resonance Chemical Shifts for Macromolecules
Bing Wang, Kenneth M Merz
Journal of Chemical Theory and Computation
|
November 18, 2015
Acceleration of High Angular Momentum Electron Repulsion Integrals and Integral Derivatives on Graphics Processing Units
Yipu Miao, Kenneth M Merz
Page
of 34