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Physical Chemistry Chemical Physics : PCCP
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October 17, 2019
New application of in silico methods in identifying mechanisms of action and key components of anti-cancer herbal formulation YIV-906 (PHY906)
Shuhan Liu, Xibing He, Viet Hoang Man, et al.
Journal of Chemical Theory and Computation
|
April 21, 2020
Introducing Virtual Oligomerization Inhibition to Identify Potent Inhibitors of Aβ Oligomerization
Viet Hoang Man, Xibing He, Beihong Ji, et al.
Journal of Computer-Aided Molecular Design
|
February 13, 2017
Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates
Meagan C Small, Asaminew H Aytenfisu, Fang-Yu Lin, et al.
ACS Chemical Neuroscience
|
October 30, 2019
Molecular Mechanism and Kinetics of Amyloid-β<sub>42</sub> Aggregate Formation: A Simulation Study
Viet Hoang Man, Xibing He, Beihong Ji, et al.
Artificial Intelligence Chemistry
|
December 13, 2023
Predicting anti-SARS-CoV-2 activities of chemical compounds using machine learning models
Beihong Ji, Yuhui Wu, Elena N Thomas, et al.
ACS Chemical Neuroscience
|
March 21, 2020
Prediction of the Binding Affinities and Selectivity for CB1 and CB2 Ligands Using Homology Modeling, Molecular Docking, Molecular Dynamics Simulations, and MM-PBSA Binding Free Energy Calculations
Beihong Ji, Shuhan Liu, Xibing He, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 2, 2022
A multiple-step <i>in silico</i> screening protocol to identify allosteric inhibitors of Spike-hACE2 binding
Jingchen Zhai, Xibing He, Viet Hoang Man, et al.
Journal of Molecular Modeling
|
August 20, 2018
An insight into paracetamol and its metabolites using molecular docking and molecular dynamics simulation
Yuanqiang Wang, Weiwei Lin, Nan Wu, et al.
ACS Chemical Neuroscience
|
March 23, 2026
K16F/E22F Mutation Promotes Oligomerization and Alters β-Sheet Topology of Aβ16-22 Peptides: Insights from Molecular Dynamics Simulations
Viet Hoang Man, Xibing He, Taoyu Niu, et al.
Journal of Cheminformatics
|
February 16, 2021
Incorporating structural similarity into a scoring function to enhance the prediction of binding affinities
Beihong Ji, Xibing He, Yuzhao Zhang, et al.
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Search research articles
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Showing results (31-40 of 51) with videos related to
Sort By:
Page
of 6
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2019
New application of in silico methods in identifying mechanisms of action and key components of anti-cancer herbal formulation YIV-906 (PHY906)
Shuhan Liu, Xibing He, Viet Hoang Man, et al.
Journal of Chemical Theory and Computation
|
April 21, 2020
Introducing Virtual Oligomerization Inhibition to Identify Potent Inhibitors of Aβ Oligomerization
Viet Hoang Man, Xibing He, Beihong Ji, et al.
Journal of Computer-Aided Molecular Design
|
February 13, 2017
Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates
Meagan C Small, Asaminew H Aytenfisu, Fang-Yu Lin, et al.
ACS Chemical Neuroscience
|
October 30, 2019
Molecular Mechanism and Kinetics of Amyloid-β<sub>42</sub> Aggregate Formation: A Simulation Study
Viet Hoang Man, Xibing He, Beihong Ji, et al.
Artificial Intelligence Chemistry
|
December 13, 2023
Predicting anti-SARS-CoV-2 activities of chemical compounds using machine learning models
Beihong Ji, Yuhui Wu, Elena N Thomas, et al.
ACS Chemical Neuroscience
|
March 21, 2020
Prediction of the Binding Affinities and Selectivity for CB1 and CB2 Ligands Using Homology Modeling, Molecular Docking, Molecular Dynamics Simulations, and MM-PBSA Binding Free Energy Calculations
Beihong Ji, Shuhan Liu, Xibing He, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 2, 2022
A multiple-step <i>in silico</i> screening protocol to identify allosteric inhibitors of Spike-hACE2 binding
Jingchen Zhai, Xibing He, Viet Hoang Man, et al.
Journal of Molecular Modeling
|
August 20, 2018
An insight into paracetamol and its metabolites using molecular docking and molecular dynamics simulation
Yuanqiang Wang, Weiwei Lin, Nan Wu, et al.
ACS Chemical Neuroscience
|
March 23, 2026
K16F/E22F Mutation Promotes Oligomerization and Alters β-Sheet Topology of Aβ16-22 Peptides: Insights from Molecular Dynamics Simulations
Viet Hoang Man, Xibing He, Taoyu Niu, et al.
Journal of Cheminformatics
|
February 16, 2021
Incorporating structural similarity into a scoring function to enhance the prediction of binding affinities
Beihong Ji, Xibing He, Yuzhao Zhang, et al.
Page
of 6