Lv61
2020 积分 2023-02-15 加入
Deep Lead Optimization: Leveraging Generative AI for Structural Modification
2小时前
已完结
Mixture-of-Experts Based Dissociation Kinetic Model for De Novo Design of HSP90 Inhibitors with Prolonged Residence Time
11天前
已完结
Enhanced Sampling of Biomolecular Slow Conformational Transitions Using Adaptive Sampling and Machine Learning
12天前
已完结
Drug-target binding affinity prediction model based on multi-scale diffusion and interactive learning
17天前
已完结
De novo protein design with a denoising diffusion network independent of pretrained structure prediction models
26天前
已完结
Deep learning-driven scaffold hopping in the discovery of Akt kinase inhibitors
1个月前
已完结
Elucidating the Selective Mechanism of Drugs Targeting Cyclin-Dependent Kinases with Integrated MetaD-US Simulation
1个月前
已完结
Learning motif-based graphs for drug–drug interaction prediction via local–global self-attention
1个月前
已完结
Design, Synthesis, and Biological Evaluation of 5-Amino-4-fluoro-1H-benzo[d]imidazole-6-carboxamide Derivatives as Novel and Potential MEK/RAF Complex Inhibitors Based on the “Clamp” Strategy
2个月前
已完结
A bioactivity foundation model using pairwise meta-learning
2个月前
已完结
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