Supporting information of "Spatio-Temporal Precision Analysis of Large-scale Compound-Protein Interactions by Molecular Dynamics Simulation"

Journal Article

Dataset

Supporting Movie 1: Top 7 drugs with the highest multitarget scores against 6 SARS-CoV-2 proteins in MD-based target screening,

Supporting Movie 2: Top 20 drugs in MD-based compound screening for 3CLpro.