Lv31
228 积分 2023-11-16 加入
SurfPro-NN: A 3D point cloud neural network for the scoring of protein–protein docking models based on surfaces features and protein language models
1小时前
已完结
Alchemical Enhanced Sampling with Optimized Phase Space Overlap
7天前
已完结
A Relative Binding Free Energy Framework for Structurally Dissimilar Molecules
8天前
已完结
Flexible protein–ligand docking with diffusion-based side-chain packing
1个月前
已完结
Toward Automated Physics-Based Absolute Drug Residence Time Predictions
1个月前
已完结
Relative BAT: An Automated Tool for Relative Binding Free Energy Calculations by the Separated Topologies Approach
1个月前
已完结
SynGFN: learning across chemical space with generative flow-based molecular discovery
2个月前
已完结
Induced proximity-based therapeutic modalities
2个月前
已完结
VoroIF-GNN: Voronoi tessellation-derived protein-protein interface assessment using a graph neural network
2个月前
已关闭
PPAP: A Protein–protein Affinity Predictor Incorporating Interfacial Contact-Aware Attention
2个月前
已完结
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