target-based-lead-design
Generate diverse lead compounds for a specific protein target using structure-based drug design with MolCraft. Use this skill when: (1) Designing drug candidates for a known protein target (PDB ID or disease name), (2) Generating structurally diverse molecules with optimized binding affinity, (3) Filtering candidates based on user-defined criteria (docking, ADMET, drug-likeness), (4) Iteratively refining leads through regeneration when criteria are not met.
Installation and usage
Generate diverse lead compounds for a specific protein target using structure-based drug design with MolCraft. Use this skill when: (1) Designing drug candidates for a known protein target (PDB ID or disease name), (2) Generating structurally diverse molecules with optimized binding affinity, (3) Filtering candidates based on user-defined criteria (docking, ADMET, drug-likeness), (4) Iteratively refining leads through regeneration when criteria are not met.
설치 후 터미널에서 다음 명령을 실행하여 이 스킬을 사용할 수 있습니다:
skills use target-based-lead-design