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Molecular Diversity|September 6, 2019
In silico prediction of drug-induced developmental toxicity by using machine learning approachesHui Zhang, Jun Mao, Hua-Zhao Qi, et al.Journal of Pharmacological and Toxicological Methods|May 27, 2022
Development of binary classification models for assessment of drug-induced liver injury in humans using a large set of FDA-approved drugsHui Zhang, Hong-Rui Zhang, Mei-Ling Hu, et al.International Journal of Molecular Sciences|August 12, 2022
Identification of Novel Inhibitors Targeting SGK1 via Ensemble-Based Virtual Screening Method, Biological Evaluation and Molecular Dynamics SimulationHui Zhang, Chen Shen, Hong-Rui Zhang, et al.Food and Chemical Toxicology : an International Journal Published for the British Industrial Biological Research Association|July 5, 2020
Developing novel computational prediction models for assessing chemical-induced neurotoxicity using naïve Bayes classifier techniqueHui Zhang, Jun Mao, Hua-Zhao Qi, et al.European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences|November 26, 2022
Discovery of potent microtubule-destabilizing agents targeting for colchicine site by virtual screening, biological evaluation, and molecular dynamics simulationHui Zhang, Qing-Qing Luo, Mei-Ling Hu, et al.Journal of Molecular Modeling|March 18, 2023
Discovery of novel S6K1 inhibitors by an ensemble-based virtual screening method and molecular dynamics simulationHui Zhang, Hong-Rui Zhang, Jian Zhang, et al.Journal of Computer-Aided Molecular Design|November 11, 2024
Identification of novel inhibitors targeting PI3Kα via ensemble-based virtual screening method, biological evaluation and molecular dynamics simulationHui Zhang, Hua-Zhao Qi, Ya-Juan Li, et al.Molecular Diversity|January 19, 2024
Discovery of novel Akt1 inhibitors by an ensemble-based virtual screening method, molecular dynamics simulation, and in vitro biological activity testingWen Zhang, Mei-Ling Hu, Xiu-Yun Shi, et al.Bioorganic Chemistry|March 18, 2022
Discovery of novel microtubule stabilizers targeting taxane binding site by applying molecular docking, molecular dynamics simulation, and anticancer activity testingHui Zhang, Hua-Zhao Qi, Jun Mao, et al.Chemico-Biological Interactions|December 21, 2021
Discovery of microtubule stabilizers with novel scaffold structures based on virtual screening, biological evaluation, and molecular dynamics simulationJun Mao, Qing-Qing Luo, Hong-Rui Zhang, et al.Pageof 1