Lv1
40 积分 2024-03-06 加入
Discovery of Novel Small Molecule Inhibitors Disrupting the PCSK9-LDLR Interaction
6个月前
已完结
Discovery of potent ALK tyrosine kinase inhibitors for thyroid cancer via machine learning modeling, molecular docking, MD simulations, and DFT study
7个月前
已完结
Bridging cheminformatics and water emergency response: An interpretable machine learning approach accelerates natural algaecide discovery
7个月前
已完结
Wogonin Alleviates DCD Liver Ischemia/Reperfusion Injury by Regulating ALOX15/iNOS-mediated Ferroptosis
8个月前
已完结
Molecular property prediction based on graph structure learning
8个月前
已完结
Discovery of novel GluN1/GluN3A NMDA receptor inhibitors using a deep learning-based method
8个月前
已完结
Integrating machine learning with in silico studies and Quantum Chemistry: Exploring novel compounds through multiscale screening targeting the CDK2 enzyme
11个月前
已完结
Food-derived DPP4 inhibitors: Drug discovery based on high-throughput virtual screening and deep learning
11个月前
已完结
Support vector machine classification-guided identification of novel monoamine oxidase-B inhibitors via structure-based modeling to treat neurodegenerative diseases
11个月前
已完结
Targeting TNBC Metastasis: In-silico Identification of Natural Origin ROCK Inhibitors via Virtual screening, ADMET profiling, MM-GBSA, DFT, and Molecular dynamics
1年前
已完结
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