Lv3
324 积分 2024-03-13 加入
Advancing Ligand Binding Affinity Prediction with Cartesian Tensor-Based Deep Learning
1个月前
已完结
Large-scale foundation model on single-cell transcriptomics
2个月前
已完结
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE
2个月前
已完结
Differential inhibition of Morbillivirus and Henipavirus polymerases by ERDRP-0519 and structure-guided inhibitor optimization
3个月前
已完结
A Computational Physics-based Approach to Predict Unbound Brain-to-Plasma Partition Coefficient, K p,uu
4个月前
已完结
Structure-guided discovery of submicromolar 1,2,4-triazole–Schiff-base inhibitors of glutathione reductase
6个月前
已完结
Structure-guided discovery of submicromolar 1,2,4-triazole–Schiff-base inhibitors of glutathione reductase
6个月前
已关闭
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
10个月前
已完结
Small molecule dysregulation of ClpP activity via bidirectional allosteric pathways
1年前
已关闭
Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case
1年前
已完结
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