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Journal of Chemical Theory and Computation
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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.
Human & Experimental Toxicology
|
September 1, 1995
Skin irritation testing in man for hazard assessment--evaluation of four patch systems
M York, D A Basketter, J A Cuthbert, et al.
The Journal of Physical Chemistry. B
|
July 21, 2022
RNA Electrostatics: How Ribozymes Engineer Active Sites to Enable Catalysis
Şölen Ekesan, Erika McCarthy, David A Case, et al.
Contact Dermatitis
|
March 1, 1996
Evaluation of a human patch test for the identification and classification of skin irritation potential
M York, H A Griffiths, E Whittle, 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.
The Journal of Physical Chemistry. B
|
July 21, 2006
Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 1. Implementation
Jana Khandogin, Brent A Gregersen, Walter Thiel, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 2. Application to transphosphorylation thio effects in solution
Brent A Gregersen, Jana Khandogin, Walter Thiel, 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.
Journal of Chemical Theory and Computation
|
October 13, 2021
Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/Molecular Mechanical Simulations of Chemical Reactions in Solution
Jinzhe Zeng, Timothy J Giese, Şölen Ekesan, et al.
Page
of 48
Search research articles
Search
Showing results (161-170 of 477) with videos related to
Sort By:
Page
of 48
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.
Human & Experimental Toxicology
|
September 1, 1995
Skin irritation testing in man for hazard assessment--evaluation of four patch systems
M York, D A Basketter, J A Cuthbert, et al.
The Journal of Physical Chemistry. B
|
July 21, 2022
RNA Electrostatics: How Ribozymes Engineer Active Sites to Enable Catalysis
Şölen Ekesan, Erika McCarthy, David A Case, et al.
Contact Dermatitis
|
March 1, 1996
Evaluation of a human patch test for the identification and classification of skin irritation potential
M York, H A Griffiths, E Whittle, 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.
The Journal of Physical Chemistry. B
|
July 21, 2006
Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 1. Implementation
Jana Khandogin, Brent A Gregersen, Walter Thiel, et al.
The Journal of Physical Chemistry. B
|
July 21, 2006
Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 2. Application to transphosphorylation thio effects in solution
Brent A Gregersen, Jana Khandogin, Walter Thiel, 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.
Journal of Chemical Theory and Computation
|
October 13, 2021
Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/Molecular Mechanical Simulations of Chemical Reactions in Solution
Jinzhe Zeng, Timothy J Giese, Şölen Ekesan, et al.
Page
of 48