Lv11
46 积分 2025-07-14 加入
Temperature-Dependent Small-Molecule Solubility Prediction Using MoE-Enhanced Directed Message Passing Neural Networks
8小时前
已完结
Designing novel FAK inhibitors targeting gastric cancer: a combined approach using machine learning, docking analysis, molecular dynamics simulations, and experimental validation
6天前
已完结
Molecular Insights on the Conformational Transitions and Activity Regulation of the c-Met Kinase Induced by Ligand Binding
7天前
已完结
Artificial intelligence in drug discovery — what it is, where we stand and the path forward
11天前
已完结
Design, Synthesis, and Biological Evaluation of Novel Orally Available Covalent CDK12/13 Dual Inhibitors for the Treatment of Tumors
1个月前
已完结
Molecular docking of balanol to dynamics snapshots of protein kinase A
1个月前
已完结
Discovery of BGM1812, a Novel Dual Amylin and Calcitonin Receptor Agonist for Obesity Treatment
1个月前
已完结
ePharmaLib: A Versatile Library of e-Pharmacophores to Address Small-Molecule (Poly-)Pharmacology
2个月前
已完结
Deep contrastive learning enables genome-wide virtual screening
2个月前
已完结
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
2个月前
已完结
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