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48 积分 2025-06-08 加入
AssayMatch: Learning To Select Data for Molecular Activity Models
1个月前
已完结
Synthon-based ligand discovery in virtual libraries of over 11 billion compounds
1个月前
已完结
An open-source drug discovery platform enables ultra-large virtual screens
1个月前
已完结
Molecular Determinants of Biased Agonism at the Dopamine D2 Receptor
1个月前
已完结
Insights into Ligand-Specific Activation Dynamics of Dopamine D2 Receptor Explored by MD Simulations
1个月前
已完结
De Novo Structure-Based Drug Design Using Deep Learning
1个月前
已完结
Decoding the Structure–Activity Relationship of the Dopamine D3 Receptor-Selective Ligands Using Machine and Deep Learning Approaches
1个月前
已完结
Enzyme Tunnel Dynamics and Catalytic Mechanism of Norcoclaurine Synthase: Insights from a Combined LiGaMD and DFT Study
2个月前
已完结
ProphDR: An Interpretable Deep Learning Model for Predicting Cancer Drug Response via Multi-Omics and Cross-Attention Mechanisms. ACS Publications. Collection
2个月前
已完结
Tree-Invent: A Novel Multipurpose Molecular Generative Model Constrained with a Topological Tree
5个月前
已完结
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