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Drug Discovery Today|September 27, 2022
Machine learning methods for pKa prediction of small molecules: Advances and challengesJialu Wu, Yu Kang, Peichen Pan, et al.Antiviral Research|September 24, 2013
Insights into susceptibility of antiviral drugs against the E119G mutant of 2009 influenza A (H1N1) neuraminidase by molecular dynamics simulations and free energy calculationsPeichen Pan, Lin Li, Youyong Li, 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.Molecular Biosystems|March 21, 2014
Exploring the prominent performance of CX-4945 derivatives as protein kinase CK2 inhibitors by a combined computational studyXuwen Wang, Peichen Pan, Youyong Li, 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.Drug Discovery Today|October 1, 2013
Advances in the development of Rho-associated protein kinase (ROCK) inhibitorsPeichen Pan, Mingyun Shen, Huidong Yu, et al.Drug Discovery Today|December 3, 2014
Farnesyltransferase and geranylgeranyltransferase I: structures, mechanism, inhibitors and molecular modelingMingyun Shen, Peichen Pan, Youyong Li, 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.Accounts of Chemical Research|February 27, 2026
Computational and AI-Driven Ecosystem for Structure-Based Covalent Drug DiscoveryShi Li, Hongyan Du, Xujun Zhang, et al.Molecular Biosystems|January 24, 2013
Discovery and optimization of triazine derivatives as ROCK1 inhibitors: molecular docking, molecular dynamics simulations and free energy calculationsMingyun Shen, Shunye Zhou, Youyong Li, et al.Pageof 10