II.
LibrarySkill overview
Reference · livelib-skill:bioinformatics--autodock-docking-engine
autodock-docking-engine overview
AutoDock molecular docking skill for small molecule binding prediction and virtual screening
Attributes
displayName
autodock-docking-engine
description
AutoDock molecular docking skill for small molecule binding prediction and virtual screening
libraryPath
library/specializations/domains/science/bioinformatics/skills/autodock-docking-engine/SKILL.md
specialization
bioinformatics
contentSummary
# AutoDock Docking Engine Skill
## Purpose
Provide AutoDock molecular docking for small molecule binding prediction and virtual screening.
## Capabilities
- Receptor and ligand preparation
- Grid generation and docking
- Scoring function evaluation
- Pose clustering and ranking
- Batch v
Outgoing edges
lib_applies_to_domain1
- domain:bioinformatics·DomainBioinformatics
lib_belongs_to_specialization2
- specialization:biomedical-informatics·SpecializationBiomedical Informatics
- specialization:bioinformatics·SpecializationBioinformatics
lib_implements_workflow1
- workflow:experiment-design·WorkflowExperiment Design
lib_involves_role2
- role:research-scientist·RoleResearch Scientist
- role:biomedical-engineer·RoleBiomedical Engineer
lib_requires_skill_area3
- skill-area:physics-simulation·SkillAreaPhysics Simulation
- skill-area:statistical-analysis·SkillAreaStatistical Analysis
- skill-area:data-analysis·SkillAreaData Analysis
Incoming edges
None.