Lv6
2695 积分 2020-07-28 加入
Improving Predictions of Molecular Properties with Graph Featurization and Heterogeneous Ensemble Models
12天前
已完结
Conformal Selection for Efficient and Accurate Compound Screening in Drug Discovery
17天前
已完结
Local Resampling Trick for Focused Molecular Dynamics
17天前
已完结
Design of SARS-CoV-2 Mpro, PLpro Dual-Target Inhibitors Based on Deep Reinforcement Learning and Virtual Screening
20天前
已完结
Design of SARS-CoV-2 Mpro, PLpro Dual-Target Inhibitors Based on Deep Reinforcement Learning and Virtual Screening
20天前
已关闭
Identification of novel Src, Bcl-2 dual inhibitors by the pharmacophore model, molecular docking, and molecular dynamics simulations
20天前
已完结
The slow but steady rise of binding free energy calculations in drug discovery
24天前
已完结
Modeling the expansion of virtual screening libraries
24天前
已完结
Data-centric challenges with the application and adoption of artificial intelligence for drug discovery
24天前
已完结
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery
1个月前
已完结
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