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Nanoscale
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March 20, 2020
Entropic effect and residue specific entropic contribution to the cooperativity in streptavidin-biotin binding
Yalong Cong, Kaifang Huang, Yuchen Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 20, 2021
Computational analysis of binding free energies, hotspots and the binding mechanism of Bcl-xL/Bcl-2 binding to Bad/Bax
Lili Duan, Shuheng Dong, Kaifang Huang, et al.
Nanoscale
|
April 26, 2021
Inhibition mechanism and hot-spot prediction of nine potential drugs for SARS-CoV-2 M<sup>pro</sup> by large-scale molecular dynamic simulations combined with accurate binding free energy calculations
Song Luo, Kaifang Huang, Xiaoyu Zhao, et al.
Nanoscale
|
May 11, 2020
An accurate free energy estimator: based on MM/PBSA combined with interaction entropy for protein-ligand binding affinity
Kaifang Huang, Song Luo, Yalong Cong, et al.
Frontiers in Chemistry
|
August 27, 2019
Accelerated Molecular Dynamics Simulation for Helical Proteins Folding in Explicit Water
Lili Duan, Xiaona Guo, Yalong Cong, et al.
The Journal of Physical Chemistry Letters
|
June 27, 2022
Immune Escape Mechanisms of SARS-CoV-2 Delta and Omicron Variants against Two Monoclonal Antibodies That Received Emergency Use Authorization
Danyang Xiong, Xiaoyu Zhao, Song Luo, et al.
Molecules (Basel, Switzerland)
|
March 29, 2023
Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-Guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation
Xiao Liu, Lei Zheng, Chu Qin, et al.
Frontiers in Chemistry
|
September 11, 2018
Exploring the Reasons for Decrease in Binding Affinity of HIV-2 Against HIV-1 Protease Complex Using Interaction Entropy Under Polarized Force Field
Yalong Cong, Yuchen Li, Kun Jin, et al.
Structural Dynamics (Melville, N.Y.)
|
March 15, 2019
The impact of interior dielectric constant and entropic change on HIV-1 complex binding free energy prediction
Yuchen Li, Yalong Cong, Guoqiang Feng, et al.
Journal of Agricultural and Food Chemistry
|
April 17, 2020
An Energy Optimization Strategy Based on the Perfect Conformation of Prolyl Endopeptidase for Improving Catalytic Efficiency
Xiaolin Li, Yalong Cong, Mingzhe Ma, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 27) with videos related to
Sort By:
Page
of 3
Nanoscale
|
March 20, 2020
Entropic effect and residue specific entropic contribution to the cooperativity in streptavidin-biotin binding
Yalong Cong, Kaifang Huang, Yuchen Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 20, 2021
Computational analysis of binding free energies, hotspots and the binding mechanism of Bcl-xL/Bcl-2 binding to Bad/Bax
Lili Duan, Shuheng Dong, Kaifang Huang, et al.
Nanoscale
|
April 26, 2021
Inhibition mechanism and hot-spot prediction of nine potential drugs for SARS-CoV-2 M<sup>pro</sup> by large-scale molecular dynamic simulations combined with accurate binding free energy calculations
Song Luo, Kaifang Huang, Xiaoyu Zhao, et al.
Nanoscale
|
May 11, 2020
An accurate free energy estimator: based on MM/PBSA combined with interaction entropy for protein-ligand binding affinity
Kaifang Huang, Song Luo, Yalong Cong, et al.
Frontiers in Chemistry
|
August 27, 2019
Accelerated Molecular Dynamics Simulation for Helical Proteins Folding in Explicit Water
Lili Duan, Xiaona Guo, Yalong Cong, et al.
The Journal of Physical Chemistry Letters
|
June 27, 2022
Immune Escape Mechanisms of SARS-CoV-2 Delta and Omicron Variants against Two Monoclonal Antibodies That Received Emergency Use Authorization
Danyang Xiong, Xiaoyu Zhao, Song Luo, et al.
Molecules (Basel, Switzerland)
|
March 29, 2023
Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-Guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation
Xiao Liu, Lei Zheng, Chu Qin, et al.
Frontiers in Chemistry
|
September 11, 2018
Exploring the Reasons for Decrease in Binding Affinity of HIV-2 Against HIV-1 Protease Complex Using Interaction Entropy Under Polarized Force Field
Yalong Cong, Yuchen Li, Kun Jin, et al.
Structural Dynamics (Melville, N.Y.)
|
March 15, 2019
The impact of interior dielectric constant and entropic change on HIV-1 complex binding free energy prediction
Yuchen Li, Yalong Cong, Guoqiang Feng, et al.
Journal of Agricultural and Food Chemistry
|
April 17, 2020
An Energy Optimization Strategy Based on the Perfect Conformation of Prolyl Endopeptidase for Improving Catalytic Efficiency
Xiaolin Li, Yalong Cong, Mingzhe Ma, et al.
Page
of 3