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Current Drug Targets|January 14, 2016
Recent Advances in Protein-Protein DockingQian Zhang, Ting Feng, Lei Xu, et al.
Drug Metabolism and Disposition: the Biological Fate of Chemicals|January 31, 2014
Pathway-dependent inhibition of paclitaxel hydroxylation by kinase inhibitors and assessment of drug-drug interaction potentialsYedong Wang, Meiyu Wang, Huixin Qi, et al.
Physical Chemistry Chemical Physics : PCCP|September 11, 2014
Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoringHuiyong Sun, Youyong Li, Mingyun Shen, et al.
Bioorganic & Medicinal Chemistry Letters|February 20, 2019
Discovery of 3,6-diaryl-1H-pyrazolo[3,4-b]pyridines as potent anaplastic lymphoma kinase (ALK) inhibitorsChangwei Chen, Peichen Pan, Ziyang Deng, et al.
Scientific Reports|April 23, 2016
Constructing and Validating High-Performance MIEC-SVM Models in Virtual Screening for Kinases: A Better Way for Actives DiscoveryHuiyong Sun, Peichen Pan, Sheng Tian, et al.
Physical Chemistry Chemical Physics : PCCP|February 1, 2018
Importance of protein flexibility in molecular recognition: a case study on Type-I1/2 inhibitors of ALKXiaotian Kong, Huiyong Sun, Peichen Pan, et al.
Briefings in Bioinformatics|September 22, 2023
ML-PLIC: a web platform for characterizing protein-ligand interactions and developing machine learning-based scoring functionsXujun Zhang, Chao Shen, Tianyue Wang, et al.
Molecular Biosystems|December 17, 2013
Theoretical studies on beta and delta isoform-specific binding mechanisms of phosphoinositide 3-kinase inhibitorsJingyu Zhu, Peichen Pan, Youyong Li, et al.
Journal of Chemical Information and Modeling|December 1, 2015
Identification and Preliminary SAR Analysis of Novel Type-I Inhibitors of TIE-2 via Structure-Based Virtual Screening and Biological Evaluation in in vitro ModelsPeichen Pan, Sheng Tian, Huiyong Sun, et al.
Computers in Biology and Medicine|October 15, 2024
In-depth theoretical modeling to explore the mechanism of TPX-0131 overcoming lorlatinib resistance to ALKL1196M/G1202R mutationXing Zhang, Jianbo Tong, Tianhao Wang, et al.
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