Lv2
110 积分 2025-10-14 加入
EquiCPI: SE(3)-Equivariant Geometric Deep Learning for Structure-Aware Prediction of Compound-Protein Interactions
1个月前
已完结
Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs
1个月前
已完结
Profile of David Baker, Demis Hassabis, and John Jumper: 2024 Nobel laureates in chemistry
1个月前
已关闭
Metabolite control of enzyme activity links stress to biosynthetic regulation
2个月前
已完结
RAPID-Net: Accurate Pocket Identification for Binding-Site-Agnostic Docking
2个月前
已完结
Geometric Interaction Graph Neural Network for Predicting Protein–Ligand Binding Affinities from 3D Structures (GIGN)
2个月前
已完结
Flexible protein–ligand docking with diffusion-based side-chain packing
3个月前
已完结
Computational design of superstable proteins through maximized hydrogen bonding
4个月前
已完结
Modeling protein–small molecule conformational ensembles with PLACER
4个月前
已完结
Glycosylated cannabinoids in
5个月前
已完结