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Journal of Chemical Theory and Computation
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January 31, 2022
Protein-Protein Interaction-Gaussian Accelerated Molecular Dynamics (PPI-GaMD): Characterization of Protein Binding Thermodynamics and Kinetics
Jinan Wang, Yinglong Miao
Minerva Medica
|
November 16, 2019
Chamaejasmine induces apoptosis in human non-small-cell lung cancer A549 cells through increasing the Bax/Bcl-2 ratio, caspase-3 and activating the Fas/FasL
Jinan Wang, Xiuwei Li
Biorxiv : the Preprint Server for Biology
|
May 20, 2024
Ligand Gaussian accelerated Molecular Dynamics 3 (LiGaMD3): Improved Calculations of Binding Thermodynamics and Kinetics of Both Small Molecules and Flexible Peptides
Jinan Wang, Yinglong Miao
Advances in Protein Chemistry and Structural Biology
|
May 1, 2019
Recent advances in computational studies of GPCR-G protein interactions
Jinan Wang, Yinglong Miao
The Journal of Physical Chemistry. B
|
July 9, 2019
Mechanistic Insights into Specific G Protein Interactions with Adenosine Receptors
Jinan Wang, Yinglong Miao
Journal of Chemical Theory and Computation
|
January 27, 2023
Ligand Gaussian Accelerated Molecular Dynamics 2 (LiGaMD2): Improved Calculations of Ligand Binding Thermodynamics and Kinetics with Closed Protein Pocket
Jinan Wang, Yinglong Miao
Journal of Chemical Theory and Computation
|
July 13, 2024
Ligand Gaussian Accelerated Molecular Dynamics 3 (LiGaMD3): Improved Calculations of Binding Thermodynamics and Kinetics of Both Small Molecules and Flexible Peptides
Jinan Wang, Yinglong Miao
The Journal of Chemical Physics
|
October 23, 2020
Peptide Gaussian accelerated molecular dynamics (Pep-GaMD): Enhanced sampling and free energy and kinetics calculations of peptide binding
Jinan Wang, Yinglong Miao
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2017
Mutation L1196M-induced conformational changes and the drug resistant mechanism of anaplastic lymphoma kinase studied by free energy perturbation and umbrella sampling
Jianzhong Chen, Jinan Wang, Weiliang Zhu
Physical Chemistry Chemical Physics : PCCP
|
January 13, 2017
Zinc ion-induced conformational changes in new Delphi metallo-β-lactamase 1 probed by molecular dynamics simulations and umbrella sampling
Jianzhong Chen, Jinan Wang, Weiliang Zhu
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Search research articles
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Showing results (1-10 of 134) with videos related to
Sort By:
Page
of 14
Journal of Chemical Theory and Computation
|
January 31, 2022
Protein-Protein Interaction-Gaussian Accelerated Molecular Dynamics (PPI-GaMD): Characterization of Protein Binding Thermodynamics and Kinetics
Jinan Wang, Yinglong Miao
Minerva Medica
|
November 16, 2019
Chamaejasmine induces apoptosis in human non-small-cell lung cancer A549 cells through increasing the Bax/Bcl-2 ratio, caspase-3 and activating the Fas/FasL
Jinan Wang, Xiuwei Li
Biorxiv : the Preprint Server for Biology
|
May 20, 2024
Ligand Gaussian accelerated Molecular Dynamics 3 (LiGaMD3): Improved Calculations of Binding Thermodynamics and Kinetics of Both Small Molecules and Flexible Peptides
Jinan Wang, Yinglong Miao
Advances in Protein Chemistry and Structural Biology
|
May 1, 2019
Recent advances in computational studies of GPCR-G protein interactions
Jinan Wang, Yinglong Miao
The Journal of Physical Chemistry. B
|
July 9, 2019
Mechanistic Insights into Specific G Protein Interactions with Adenosine Receptors
Jinan Wang, Yinglong Miao
Journal of Chemical Theory and Computation
|
January 27, 2023
Ligand Gaussian Accelerated Molecular Dynamics 2 (LiGaMD2): Improved Calculations of Ligand Binding Thermodynamics and Kinetics with Closed Protein Pocket
Jinan Wang, Yinglong Miao
Journal of Chemical Theory and Computation
|
July 13, 2024
Ligand Gaussian Accelerated Molecular Dynamics 3 (LiGaMD3): Improved Calculations of Binding Thermodynamics and Kinetics of Both Small Molecules and Flexible Peptides
Jinan Wang, Yinglong Miao
The Journal of Chemical Physics
|
October 23, 2020
Peptide Gaussian accelerated molecular dynamics (Pep-GaMD): Enhanced sampling and free energy and kinetics calculations of peptide binding
Jinan Wang, Yinglong Miao
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2017
Mutation L1196M-induced conformational changes and the drug resistant mechanism of anaplastic lymphoma kinase studied by free energy perturbation and umbrella sampling
Jianzhong Chen, Jinan Wang, Weiliang Zhu
Physical Chemistry Chemical Physics : PCCP
|
January 13, 2017
Zinc ion-induced conformational changes in new Delphi metallo-β-lactamase 1 probed by molecular dynamics simulations and umbrella sampling
Jianzhong Chen, Jinan Wang, Weiliang Zhu
Page
of 14