E3 ligase (E3 Binder) + Target protein (Warhead)
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Virtual screening proper pose of E3 binder and warhead via MIND - QM/MM and MIND - AIMD platform
From The Mind Come Drugs of the Future
Virtual screening proper pose of E3 binder and warhead via MIND - QM/MM and MIND - AIMD platform
Generating candidate binding modes via E3 Ligase−Target Protein docking
Virtual screening proper distance of linker from Linker DB
Optimizing conformation of linker
Molecular dynamics simulation for ternary complex in biosimilar environment
Analyzing binding affinity of PROTAC−Protein