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Journal of Chemical Theory and Computation
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November 20, 2015
Acceleration of Semiempirical Quantum Mechanical Calculations by Extended Lagrangian Molecular Dynamics Approach
Kwangho Nam
Journal of Chemical Theory and Computation
|
November 21, 2015
Acceleration of Ab Initio QM/MM Calculations under Periodic Boundary Conditions by Multiscale and Multiple Time Step Approaches
Kwangho Nam
Chemical Science
|
May 17, 2017
Dynamic, structural and thermodynamic basis of insulin-like growth factor 1 kinase allostery mediated by activation loop phosphorylation
Yaozong Li, Kwangho Nam
The Journal of Physical Chemistry. B
|
April 10, 2026
Accelerating Quantum Mechanical/Molecular Mechanical (QM/MM) Simulations with Stochastic Iso-Kinetic Nosé-Hoover Multiple Time Step Integrator in CHARMM
Kwangho Nam, Yihan Shao
Journal of Chemical Theory and Computation
|
June 20, 2020
Repulsive Soft-Core Potentials for Efficient Alchemical Free Energy Calculations
Yaozong Li, Kwangho Nam
Proceedings of the National Academy of Sciences of the United States of America
|
July 26, 2019
Insights into the origin of the high energy-conversion efficiency of F<sub>1</sub>-ATPase
Kwangho Nam, Martin Karplus
Journal of Chemical Theory and Computation
|
June 20, 2017
Acceleration of Semiempirical QM/MM Methods through Message Passage Interface (MPI), Hybrid MPI/Open Multiprocessing, and Self-Consistent Field Accelerator Implementations
Pedro Ojeda-May, Kwangho Nam
Structural Dynamics (Melville, N.Y.)
|
March 3, 2023
Protein dynamics: The future is bright and complicated!
Kwangho Nam, Magnus Wolf-Watz
The Journal of Physical Chemistry. B
|
May 3, 2016
A Simple and Accurate Method To Calculate Free Energy Profiles and Reaction Rates from Restrained Molecular Simulations of Diffusive Processes
Victor Ovchinnikov, Kwangho Nam, Martin Karplus
Proceedings of the National Academy of Sciences of the United States of America
|
December 3, 2014
Trapping the ATP binding state leads to a detailed understanding of the F1-ATPase mechanism
Kwangho Nam, Jingzhi Pu, Martin Karplus
Page
of 7
Search research articles
Search
Showing results (1-10 of 62) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 20, 2015
Acceleration of Semiempirical Quantum Mechanical Calculations by Extended Lagrangian Molecular Dynamics Approach
Kwangho Nam
Journal of Chemical Theory and Computation
|
November 21, 2015
Acceleration of Ab Initio QM/MM Calculations under Periodic Boundary Conditions by Multiscale and Multiple Time Step Approaches
Kwangho Nam
Chemical Science
|
May 17, 2017
Dynamic, structural and thermodynamic basis of insulin-like growth factor 1 kinase allostery mediated by activation loop phosphorylation
Yaozong Li, Kwangho Nam
The Journal of Physical Chemistry. B
|
April 10, 2026
Accelerating Quantum Mechanical/Molecular Mechanical (QM/MM) Simulations with Stochastic Iso-Kinetic Nosé-Hoover Multiple Time Step Integrator in CHARMM
Kwangho Nam, Yihan Shao
Journal of Chemical Theory and Computation
|
June 20, 2020
Repulsive Soft-Core Potentials for Efficient Alchemical Free Energy Calculations
Yaozong Li, Kwangho Nam
Proceedings of the National Academy of Sciences of the United States of America
|
July 26, 2019
Insights into the origin of the high energy-conversion efficiency of F<sub>1</sub>-ATPase
Kwangho Nam, Martin Karplus
Journal of Chemical Theory and Computation
|
June 20, 2017
Acceleration of Semiempirical QM/MM Methods through Message Passage Interface (MPI), Hybrid MPI/Open Multiprocessing, and Self-Consistent Field Accelerator Implementations
Pedro Ojeda-May, Kwangho Nam
Structural Dynamics (Melville, N.Y.)
|
March 3, 2023
Protein dynamics: The future is bright and complicated!
Kwangho Nam, Magnus Wolf-Watz
The Journal of Physical Chemistry. B
|
May 3, 2016
A Simple and Accurate Method To Calculate Free Energy Profiles and Reaction Rates from Restrained Molecular Simulations of Diffusive Processes
Victor Ovchinnikov, Kwangho Nam, Martin Karplus
Proceedings of the National Academy of Sciences of the United States of America
|
December 3, 2014
Trapping the ATP binding state leads to a detailed understanding of the F1-ATPase mechanism
Kwangho Nam, Jingzhi Pu, Martin Karplus
Page
of 7