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Bioorganic Chemistry|August 4, 2019
Identification of novel peptidomimetics targeting the polo-box domain of polo-like kinase 1Zhiyan Li, Zhenguo Zhang, Huiyong Sun, et al.Journal of Chemical Information and Modeling|March 26, 2013
Molecular principle of topotecan resistance by topoisomerase I mutations through molecular modeling approachesPeichen Pan, Youyong Li, Huidong Yu, et al.Plos Computational Biology|July 18, 2014
P-loop conformation governed crizotinib resistance in G2032R-mutated ROS1 tyrosine kinase: clues from free energy landscapeHuiyong Sun, Youyong Li, Sheng Tian, et al.Journal of Chemical Theory and Computation|January 15, 2016
Directly Binding Rather than Induced-Fit Dominated Binding Affinity Difference in (S)- and (R)-Crizotinib Bound MTH1Huiyong Sun, Pengcheng Chen, Dan Li, et al.Trends in Pharmacological Sciences|November 20, 2024
Development of PROTACs using computational approachesJingxuan Ge, Chang-Yu Hsieh, Meijing Fang, 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 calculationsYan Guan, Huiyong Sun, Peichen Pan, 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 complexesGaoqi Weng, Ercheng Wang, Fu Chen, et al.Journal of Chemical Information and Modeling|September 10, 2013
Development and evaluation of an integrated virtual screening strategy by combining molecular docking and pharmacophore searching based on multiple protein structuresSheng Tian, Huiyong Sun, Youyong Li, et al.Journal of Cheminformatics|February 4, 2016
ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modelingTailong Lei, Youyong Li, Yunlong Song, et al.Antiviral Research|January 28, 2014
The competitive binding between inhibitors and substrates of HCV NS3/4A protease: a general mechanism of drug resistanceYan Guan, Huiyong Sun, Youyong Li, et al.Pageof 11