Structure Based Drug Design
awslabs/hcls-agent-skills/skills/structure-based-drug-design
codingOfficial
Official Provider SkillView repo
Reasoning skill for structure-based drug design strategy. Use when the user asks to assess target druggability, choose a docking strategy, select a scoring function, define a binding site, interpret docking results, plan molecular dynamics or free energy perturbation (FEP), design a virtual screening cascade, or decide between fragment-based and HTS screening. Triggers include "drug design", "druggability", "docking strategy", "scoring function", "binding pocket", "molecular dynamics", "FEP", "S
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Skill details
Versionv1.0.0
AuthorAWS Labs
Categorycoding
Skill IDawslabs/hcls-agent-skills/skills/structure-based-drug-design
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