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Physical Chemistry Chemical Physics : PCCP
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October 1, 2011
Accounting for non-optimal interactions in molecular recognition: a study of ion-π complexes using a QM/MM model with a dipole-polarisable MM region
Qiantao Wang, Richard A Bryce
Journal of Chemical Theory and Computation
|
December 1, 2015
Improved Hydrogen Bonding at the NDDO-Type Semiempirical Quantum Mechanical/Molecular Mechanical Interface
Qiantao Wang, Richard A Bryce
Bioorganic & Medicinal Chemistry
|
August 14, 2016
General van der Waals potential for common organic molecules
Rui Qi, Qiantao Wang, Pengyu Ren
Journal of Computational Chemistry
|
August 3, 2017
Estimating and modeling charge transfer from the SAPT induction energy
Shi Deng, Qiantao Wang, Pengyu Ren
Journal of Chemical Information and Modeling
|
January 27, 2022
Importance of Three-Body Problems and Protein-Protein Interactions in Proteolysis-Targeting Chimera Modeling: Insights from Molecular Dynamics Simulations
Wenqing Li, Jiabin Zhang, Li Guo, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 26, 2021
The development of an Amber-compatible organosilane force field for drug-like small molecules
Xue Dong, Xinghang Yuan, Zhenlei Song, et al.
Journal of Chemical Information and Modeling
|
April 7, 2021
Filling the Gap in Understanding the Mechanism of GABA<sub>A</sub>R and Propofol Using Computational Approaches
Xinghang Yuan, Di Zhang, Shengjun Mao, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 25, 2020
The application of the MM/GBSA method in the binding pose prediction of FGFR inhibitors
Yu Chen, Yongxiang Zheng, Pedro Fong, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 9, 2025
Molecular dynamics-driven drug discovery
Dengjie Yan, Yue Ma, Xiang Chen, et al.
Journal of Chemical Theory and Computation
|
May 10, 2017
Capturing Many-Body Interactions with Classical Dipole Induction Models
Chengwen Liu, Rui Qi, Qiantao Wang, et al.
Page
of 6
Search research articles
Search
Showing results (1-10 of 55) with videos related to
Sort By:
Page
of 6
Physical Chemistry Chemical Physics : PCCP
|
October 1, 2011
Accounting for non-optimal interactions in molecular recognition: a study of ion-π complexes using a QM/MM model with a dipole-polarisable MM region
Qiantao Wang, Richard A Bryce
Journal of Chemical Theory and Computation
|
December 1, 2015
Improved Hydrogen Bonding at the NDDO-Type Semiempirical Quantum Mechanical/Molecular Mechanical Interface
Qiantao Wang, Richard A Bryce
Bioorganic & Medicinal Chemistry
|
August 14, 2016
General van der Waals potential for common organic molecules
Rui Qi, Qiantao Wang, Pengyu Ren
Journal of Computational Chemistry
|
August 3, 2017
Estimating and modeling charge transfer from the SAPT induction energy
Shi Deng, Qiantao Wang, Pengyu Ren
Journal of Chemical Information and Modeling
|
January 27, 2022
Importance of Three-Body Problems and Protein-Protein Interactions in Proteolysis-Targeting Chimera Modeling: Insights from Molecular Dynamics Simulations
Wenqing Li, Jiabin Zhang, Li Guo, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 26, 2021
The development of an Amber-compatible organosilane force field for drug-like small molecules
Xue Dong, Xinghang Yuan, Zhenlei Song, et al.
Journal of Chemical Information and Modeling
|
April 7, 2021
Filling the Gap in Understanding the Mechanism of GABA<sub>A</sub>R and Propofol Using Computational Approaches
Xinghang Yuan, Di Zhang, Shengjun Mao, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 25, 2020
The application of the MM/GBSA method in the binding pose prediction of FGFR inhibitors
Yu Chen, Yongxiang Zheng, Pedro Fong, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 9, 2025
Molecular dynamics-driven drug discovery
Dengjie Yan, Yue Ma, Xiang Chen, et al.
Journal of Chemical Theory and Computation
|
May 10, 2017
Capturing Many-Body Interactions with Classical Dipole Induction Models
Chengwen Liu, Rui Qi, Qiantao Wang, et al.
Page
of 6