SBDD

Advancements in deep generative modeling have changed the paradigm of drug discovery. Among such approaches, target-aware methods that exploit 3D structures of protein pockets were spotlighted for generating ligand molecules with their plausible …

**OpenMM toolkit**을 이용한 protein-ligand complex MD simulation 맛보기

**RxDock**의 scaffold-based tethered docking 기능 맛보기