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.
安装后，您可以通过在终端运行以下命令来使用此技能：
skills use target-based-lead-design