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Molecular Pharmaceutics
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July 6, 2016
ADMET Evaluation in Drug Discovery. 16. Predicting hERG Blockers by Combining Multiple Pharmacophores and Machine Learning Approaches
Shuangquan Wang, Huiyong Sun, Hui Liu, et al.
Journal of Chemical Information and Modeling
|
May 8, 2012
ADMET evaluation in drug discovery. 11. PharmacoKinetics Knowledge Base (PKKB): a comprehensive database of pharmacokinetic and toxic properties for drugs
Dongyue Cao, Junmei Wang, Rui Zhou, et al.
Journal of Cheminformatics
|
August 20, 2022
Predicting the mutation effects of protein-ligand interactions via end-point binding free energy calculations: strategies and analyses
Yang Yu, Zhe Wang, Lingling Wang, et al.
Journal of Chemical Information and Modeling
|
January 28, 2026
NavDB: A Comprehensive Database for Voltage-Gated Sodium Channels Modulators and Targets
Gaoang Wang, Jiahui Yu, Haiyi Chen, et al.
Molecular Biosystems
|
July 30, 2015
Exploring resistance mechanisms of HCV NS3/4A protease mutations to MK5172: insight from molecular dynamics simulations and free energy calculations
Yan Guan, Huiyong Sun, Peichen Pan, et al.
Nanotechnology
|
January 19, 2016
B40 fullerene as a highly sensitive molecular device for NH3 detection at low bias: a first-principles study
Bin Lin, Huilong Dong, Chunmiao Du, et al.
Cell Reports
|
May 19, 2021
The MCR-3 inside linker appears as a facilitator of colistin resistance
Yongchang Xu, Haiyi Chen, Huimin Zhang, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2019
Assessing the performance of MM/PBSA and MM/GBSA methods. 9. Prediction reliability of binding affinities and binding poses for protein-peptide complexes
Gaoqi Weng, Ercheng Wang, Fu Chen, et al.
Advanced Drug Delivery Reviews
|
February 11, 2015
The application of in silico drug-likeness predictions in pharmaceutical research
Sheng Tian, Junmei Wang, Youyong Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 4, 2015
Importance of protein flexibility in ranking inhibitor affinities: modeling the binding mechanisms of piperidine carboxamides as Type I1/2 ALK inhibitors
Xiaotian Kong, Peichen Pan, Dan Li, et al.
Page
of 47
Search research articles
Search
Showing results (131-140 of 464) with videos related to
Sort By:
Page
of 47
Molecular Pharmaceutics
|
July 6, 2016
ADMET Evaluation in Drug Discovery. 16. Predicting hERG Blockers by Combining Multiple Pharmacophores and Machine Learning Approaches
Shuangquan Wang, Huiyong Sun, Hui Liu, et al.
Journal of Chemical Information and Modeling
|
May 8, 2012
ADMET evaluation in drug discovery. 11. PharmacoKinetics Knowledge Base (PKKB): a comprehensive database of pharmacokinetic and toxic properties for drugs
Dongyue Cao, Junmei Wang, Rui Zhou, et al.
Journal of Cheminformatics
|
August 20, 2022
Predicting the mutation effects of protein-ligand interactions via end-point binding free energy calculations: strategies and analyses
Yang Yu, Zhe Wang, Lingling Wang, et al.
Journal of Chemical Information and Modeling
|
January 28, 2026
NavDB: A Comprehensive Database for Voltage-Gated Sodium Channels Modulators and Targets
Gaoang Wang, Jiahui Yu, Haiyi Chen, et al.
Molecular Biosystems
|
July 30, 2015
Exploring resistance mechanisms of HCV NS3/4A protease mutations to MK5172: insight from molecular dynamics simulations and free energy calculations
Yan Guan, Huiyong Sun, Peichen Pan, et al.
Nanotechnology
|
January 19, 2016
B40 fullerene as a highly sensitive molecular device for NH3 detection at low bias: a first-principles study
Bin Lin, Huilong Dong, Chunmiao Du, et al.
Cell Reports
|
May 19, 2021
The MCR-3 inside linker appears as a facilitator of colistin resistance
Yongchang Xu, Haiyi Chen, Huimin Zhang, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2019
Assessing the performance of MM/PBSA and MM/GBSA methods. 9. Prediction reliability of binding affinities and binding poses for protein-peptide complexes
Gaoqi Weng, Ercheng Wang, Fu Chen, et al.
Advanced Drug Delivery Reviews
|
February 11, 2015
The application of in silico drug-likeness predictions in pharmaceutical research
Sheng Tian, Junmei Wang, Youyong Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 4, 2015
Importance of protein flexibility in ranking inhibitor affinities: modeling the binding mechanisms of piperidine carboxamides as Type I1/2 ALK inhibitors
Xiaotian Kong, Peichen Pan, Dan Li, et al.
Page
of 47