Lv6
3055 积分 2020-07-28 加入
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
1个月前
已完结
ALCHEMD: Bridging Accessibility and Accuracy in Automated Relative Binding Free Energy Workflows
3个月前
已完结
Improving Predictions of Molecular Properties with Graph Featurization and Heterogeneous Ensemble Models
3个月前
已完结
Conformal Selection for Efficient and Accurate Compound Screening in Drug Discovery
3个月前
已完结
Local Resampling Trick for Focused Molecular Dynamics
3个月前
已完结
Design of SARS-CoV-2 Mpro, PLpro Dual-Target Inhibitors Based on Deep Reinforcement Learning and Virtual Screening
4个月前
已完结
Design of SARS-CoV-2 Mpro, PLpro Dual-Target Inhibitors Based on Deep Reinforcement Learning and Virtual Screening
4个月前
已关闭
Identification of novel Src, Bcl-2 dual inhibitors by the pharmacophore model, molecular docking, and molecular dynamics simulations
4个月前
已完结
The slow but steady rise of binding free energy calculations in drug discovery
4个月前
已完结
Modeling the expansion of virtual screening libraries
4个月前
已完结
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