Jinping Pang

Beware of the generic machine learning-based scoring functions in structure-based virtual screening

Chao Shen, Ye Hu, Zhe Wang et al. · Briefings in Bioinformatics · 2020 · 86 citations · Full text

CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors

Hongyan Du, Junbo Gao, Gaoqi Weng et al. · Nucleic Acids Research · 2020 · 72 citations · Full text

Discovery of Novel Androgen Receptor Ligands by Structure-Based Virtual Screening and Bioassays

Wenfang Zhou, Mojie Duan, Weitao Fu et al. · Genomics Proteomics & Bioinformatics · 2018 · 47 citations · Full text

Drug Target, Hit Identification, Molecular Biology +20

Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening?

Chao Shen, Gaoqi Weng, Xujun Zhang et al. · Briefings in Bioinformatics · 2021 · 45 citations

Artificial Intelligence, Drug Target, Engineering +23

Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model Analysis

Xueping Hu, Jinping Pang, Jintu Zhang et al. · Advanced Science · 2021 · 45 citations · Full text