structure-based-drug-design
From the author
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", "SAR", "virtual screening", "induced fit", "allosteric site", "fragment-based drug discovery", "lead optimization", "MM-GBSA", "pharmacophore".
Install
npx skills add awslabs/hcls-agent-skills --skill structure-based-drug-design -a claude-code
Installs to .claude/skills/structure-based-drug-design/ · Each command fetches the skill straight from GitHub with the open skills CLI.
Byte-identical to the scanned commit, with the repository’s licence and a SOURCE.txt.
Want your agent to suggest skills while you type? See how to use skills from your IDE.
Safety checks on SKILL.md
No warnings.
Why 82
aiqbench computes the trust score from public signals. It is not a security audit, so read a skill before you install it.
Similar skills
Closest to this one by what they do and when they are used.
- drug-repurposingawslabs/hcls-agent-skillsReason about drug repurposing strategies in HCLS — choosing between target-based and phenotype-based approaches, evaluating mechanism-of-action overlap, querying drug-gene interaction databases, assessing clinical translatability, and ranking candidates by evidence strength. Use when the user asks to repurpose a drug, find approved drugs for a new indication, evaluate a repurposing candidate, query DGIdb or OpenTargets, assess drug-target interactions, design a repurposing study, rank repurposing evidence, or evaluate translatability of a candidate. Triggers include "drug repurposing", "repurpose", "repositioning", "new indication", "off-label use", "target-based repurposing", "phenotype-based repurposing", "CMap", "L1000", "DGIdb", "OpenTargets", "DrugBank", "ChEMBL", "mechanism of action overlap", "drug-gene interaction", "translatability", "existing safety data", "repurposing evidence hierarchy".Design★ 66
- testing-strategyanthropics/knowledge-work-pluginsDesign test strategies and test plans. Trigger with "how should we test", "test strategy for", "write tests for", "test plan", "what tests do we need", or when the user needs help with testing approaches, coverage, or test architecture.OfficialTesting★ 32.8K
- molecular-dockingawslabs/hcls-agent-skillsMolecular docking pipeline using AutoDock Vina for structure-based drug discovery. Triggers on docking, AutoDock Vina, receptor preparation, ligand preparation, PDBQT, grid box, virtual screening, binding affinity, pose prediction, structure-based virtual screening, "redocking RMSD", "Vina score", "docking pose", "prepare receptor", "ligand library screening".Other★ 66
- diffdockMicrock/ordinary-claude-skillsDiffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.Design★ 408
- documentation-strategyrampstackco/claude-skillsDesign and run a documentation system for a team or product. Use this skill when planning what to document, choosing a documentation tool, organizing existing docs, fixing stale documentation, designing a maintenance cadence, or scoping technical writing work. Triggers on documentation, docs, tech writing, knowledge base, wiki, runbook, README, internal docs, doc audit, doc maintenance, stale docs, where do we document. Also triggers when the team is repeatedly answering the same questions or when onboarding takes too long.Design★ 994
- imaging-study-designawslabs/hcls-agent-skillsReasoning skill for medical imaging study design and biomarker selection. Use when the user asks to plan an imaging study, choose a preprocessing strategy, select an imaging biomarker, design a radiomics pipeline, handle DICOM de-identification, plan longitudinal imaging analysis, or pick a registration target. Triggers include "imaging study", "preprocessing strategy", "DICOM de-identification", "imaging biomarker", "radiomics", "longitudinal imaging", "registration target", "MNI vs native space", "scanner harmonization", "ComBat", "IBSI", "multi-site imaging", "burned-in PHI", "test-retest reliability", "volumetric biomarker", "diffusion MRI", "perfusion imaging", "fMRI study design", "spectroscopy biomarker".Design★ 66
Ratings & reviews
—
no reviews
Tried this skill? Rate it to help others. Sign in
Discussion
Join the discussion. Sign in