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Zhaoxi Sun

Showing results (1-10 of 50) with videos related to

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Journal of Computer-Aided Molecular Design|August 11, 2020
SAMPL7 TrimerTrip host-guest binding poses and binding affinities from spherical-coordinates-biased simulationsZhaoxi Sun
Physical Chemistry Chemical Physics : PCCP|September 26, 2019
BAR-based multi-dimensional nonequilibrium pulling for indirect construction of QM/MM free energy landscapes: from semi-empirical to ab initioZhaoxi Sun
Physical Chemistry Chemical Physics : PCCP|March 22, 2019
Understanding PIM-1 kinase inhibitor interactions with free energy simulationXiaohui Wang, Zhaoxi Sun
Physical Chemistry Chemical Physics : PCCP|March 30, 2022
Seeding the multi-dimensional nonequilibrium pulling for Hamiltonian variation: indirect nonequilibrium free energy simulations at QM levelsZhaoxi Sun, Qiaole He
Journal of Chemical Information and Modeling|May 25, 2019
Determination of Base-Flipping Free-Energy Landscapes from Nonequilibrium StratificationXiaohui Wang, Zhaoxi Sun
Physical Chemistry Chemical Physics : PCCP|July 11, 2024
Methodological and force field effects in the molecular dynamics-based prediction of binding free energies of host-guest systemsZhaoxi Sun, Piero Procacci
Journal of Chemical Information and Modeling|December 14, 2020
Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force FieldsZhe Huai, Zhaoxi Shen, Zhaoxi Sun
Journal of Molecular Modeling|December 14, 2018
Thermodynamics of helix formation in small peptides of varying length in vacuo, in implicit solvent, and in explicit solventXiaohui Wang, Boming Deng, Zhaoxi Sun
Journal of Computer-Aided Molecular Design|March 24, 2021
Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculationsZhe Huai, Huaiyu Yang, Zhaoxi Sun
Journal of Chemical Information and Modeling|June 24, 2017
Extensive Assessment of Various Computational Methods for Aspartate's pK<sub>a</sub> ShiftZhaoxi Sun, Xiaohui Wang, Jianing Song
Pageof 5

Showing results (1-10 of 50) with videos related to

Sort By:
Pageof 5
Journal of Computer-Aided Molecular Design|August 11, 2020
SAMPL7 TrimerTrip host-guest binding poses and binding affinities from spherical-coordinates-biased simulationsZhaoxi Sun
Physical Chemistry Chemical Physics : PCCP|September 26, 2019
BAR-based multi-dimensional nonequilibrium pulling for indirect construction of QM/MM free energy landscapes: from semi-empirical to ab initioZhaoxi Sun
Physical Chemistry Chemical Physics : PCCP|March 22, 2019
Understanding PIM-1 kinase inhibitor interactions with free energy simulationXiaohui Wang, Zhaoxi Sun
Physical Chemistry Chemical Physics : PCCP|March 30, 2022
Seeding the multi-dimensional nonequilibrium pulling for Hamiltonian variation: indirect nonequilibrium free energy simulations at QM levelsZhaoxi Sun, Qiaole He
Journal of Chemical Information and Modeling|May 25, 2019
Determination of Base-Flipping Free-Energy Landscapes from Nonequilibrium StratificationXiaohui Wang, Zhaoxi Sun
Physical Chemistry Chemical Physics : PCCP|July 11, 2024
Methodological and force field effects in the molecular dynamics-based prediction of binding free energies of host-guest systemsZhaoxi Sun, Piero Procacci
Journal of Chemical Information and Modeling|December 14, 2020
Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force FieldsZhe Huai, Zhaoxi Shen, Zhaoxi Sun
Journal of Molecular Modeling|December 14, 2018
Thermodynamics of helix formation in small peptides of varying length in vacuo, in implicit solvent, and in explicit solventXiaohui Wang, Boming Deng, Zhaoxi Sun
Journal of Computer-Aided Molecular Design|March 24, 2021
Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculationsZhe Huai, Huaiyu Yang, Zhaoxi Sun
Journal of Chemical Information and Modeling|June 24, 2017
Extensive Assessment of Various Computational Methods for Aspartate's pK<sub>a</sub> ShiftZhaoxi Sun, Xiaohui Wang, Jianing Song
Pageof 5