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Nature Communications
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January 6, 2025
Multi-channel learning for integrating structural hierarchies into context-dependent molecular representation
Yue Wan, Jialu Wu, Tingjun Hou, et al.
Journal of Chemical Information and Modeling
|
May 21, 2015
Using Hierarchical Virtual Screening To Combat Drug Resistance of the HIV-1 Protease
Nan Li, Richard I Ainsworth, Bo Ding, et al.
Journal of Computational Chemistry
|
February 23, 2023
Development and test of highly accurate endpoint free energy methods. 2: Prediction of logarithm of n-octanol-water partition coefficient (logP) for druglike molecules using MM-PBSA method
Yuchen Sun, Tingjun Hou, Xibing He, et al.
Evidence-Based Complementary and Alternative Medicine : Ecam
|
March 20, 2015
When modern technology meets ancient traditional chinese medicine
Calvin Yu-Chian Chen, James David Adams, Tingjun Hou, et al.
Briefings in Bioinformatics
|
December 29, 2022
Cooperation of structural motifs controls drug selectivity in cyclin-dependent kinases: an advanced theoretical analysis
Lingling Wang, Lei Xu, Zhe Wang, et al.
Molecular Biosystems
|
January 24, 2013
Discovery and optimization of triazine derivatives as ROCK1 inhibitors: molecular docking, molecular dynamics simulations and free energy calculations
Mingyun Shen, Shunye Zhou, Youyong Li, et al.
Molecular Pharmaceutics
|
February 7, 2014
ADMET evaluation in drug discovery. 13. Development of in silico prediction models for P-glycoprotein substrates
Dan Li, Lei Chen, Youyong Li, et al.
Journal of Chemical Theory and Computation
|
August 26, 2016
Structural Diversity of Ligand-Binding Androgen Receptors Revealed by Microsecond Long Molecular Dynamics Simulations and Enhanced Sampling
Mojie Duan, Na Liu, Wenfang Zhou, et al.
Molecular Biosystems
|
December 18, 2015
Binding mechanisms of 1,4-dihydropyridine derivatives to L-type calcium channel Cav1.2: a molecular modeling study
Lei Xu, Dan Li, Li Tao, et al.
Bioinformatics (Oxford, England)
|
June 12, 2020
Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning
Jike Wang, Dongsheng Cao, Cunchen Tang, et al.
Page
of 47
Search research articles
Search
Showing results (101-110 of 464) with videos related to
Sort By:
Page
of 47
Nature Communications
|
January 6, 2025
Multi-channel learning for integrating structural hierarchies into context-dependent molecular representation
Yue Wan, Jialu Wu, Tingjun Hou, et al.
Journal of Chemical Information and Modeling
|
May 21, 2015
Using Hierarchical Virtual Screening To Combat Drug Resistance of the HIV-1 Protease
Nan Li, Richard I Ainsworth, Bo Ding, et al.
Journal of Computational Chemistry
|
February 23, 2023
Development and test of highly accurate endpoint free energy methods. 2: Prediction of logarithm of n-octanol-water partition coefficient (logP) for druglike molecules using MM-PBSA method
Yuchen Sun, Tingjun Hou, Xibing He, et al.
Evidence-Based Complementary and Alternative Medicine : Ecam
|
March 20, 2015
When modern technology meets ancient traditional chinese medicine
Calvin Yu-Chian Chen, James David Adams, Tingjun Hou, et al.
Briefings in Bioinformatics
|
December 29, 2022
Cooperation of structural motifs controls drug selectivity in cyclin-dependent kinases: an advanced theoretical analysis
Lingling Wang, Lei Xu, Zhe Wang, et al.
Molecular Biosystems
|
January 24, 2013
Discovery and optimization of triazine derivatives as ROCK1 inhibitors: molecular docking, molecular dynamics simulations and free energy calculations
Mingyun Shen, Shunye Zhou, Youyong Li, et al.
Molecular Pharmaceutics
|
February 7, 2014
ADMET evaluation in drug discovery. 13. Development of in silico prediction models for P-glycoprotein substrates
Dan Li, Lei Chen, Youyong Li, et al.
Journal of Chemical Theory and Computation
|
August 26, 2016
Structural Diversity of Ligand-Binding Androgen Receptors Revealed by Microsecond Long Molecular Dynamics Simulations and Enhanced Sampling
Mojie Duan, Na Liu, Wenfang Zhou, et al.
Molecular Biosystems
|
December 18, 2015
Binding mechanisms of 1,4-dihydropyridine derivatives to L-type calcium channel Cav1.2: a molecular modeling study
Lei Xu, Dan Li, Li Tao, et al.
Bioinformatics (Oxford, England)
|
June 12, 2020
Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning
Jike Wang, Dongsheng Cao, Cunchen Tang, et al.
Page
of 47