AD
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Data & Repro
TI
time-resolved-cryoem-agent
Maintainer FreedomIntelligence · Last updated April 1, 2026
Time-resolved cryo-EM analysis for dynamic structural biology.
Original source
FreedomIntelligence/OpenClaw-Medical-Skills
https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/time-resolved-cryoem-agent
- Maintainer
- FreedomIntelligence
- License
- MIT
- Last updated
- April 1, 2026
Skill Snapshot
Key Details From SKILL.md
Key Notes
- The Time-Resolved Cryo-EM Agent leverages time-resolved cryo-electron microscopy to capture protein dynamics, drug-binding kinetics, and conformational transitions. It integrates AI-powered analysis with experimental time-resolved data to enable dynamics-based drug discovery, moving beyond static structures to understand drug mechanisms in motion.
- When studying drug-binding kinetics structurally.
- For capturing protein conformational transitions.
- To understand allosteric mechanisms and dynamics.
- When designing drugs targeting specific conformational states.
Source Doc
Excerpt From SKILL.md
Core Capabilities
-
Kinetics Extraction: Extract binding kinetics from time-resolved data.
-
Conformational Sorting: Classify particles by conformational state.
-
Trajectory Reconstruction: Build conformational trajectories.
-
Intermediate Identification: Detect rare intermediate states.
-
MD Integration: Combine with molecular dynamics simulations.
-
Dynamics-Based Design: Design drugs targeting specific states.
Time-Resolved Methods
| Method | Timescale | Resolution | Application |
|---|---|---|---|
| Rapid Mixing | ms-s | 3-4 Å | Ligand binding |
| Temperature Jump | μs-ms | 3-5 Å | Transitions |
| Photocaging | μs-ms | 3-5 Å | Triggered reactions |
| Flow-Mixing | 10ms-s | 3-4 Å | Enzyme kinetics |
Workflow
-
Input: Time-resolved cryo-EM datasets, protein sequence.
-
Particle Processing: 3D classification across timepoints.
-
State Assignment: AI-powered conformational sorting.
-
Kinetics Fitting: Extract rate constants.
-
Intermediate Mapping: Identify transient states.
-
Drug Design: Target state-specific pockets.
-
Output: Kinetic models, conformational movie, design targets.
Use cases
- When studying drug-binding kinetics structurally.
- For capturing protein conformational transitions.
- To understand allosteric mechanisms and dynamics.
- When designing drugs targeting specific conformational states.
Not for
- Do not rely on this catalog entry alone for installation or maintenance details.
Upstream Related Skills
- CryoEM_AI_Drug_Design_Agent - Static structure design
- Molecular_Dynamics_Agent - MD simulations
- AlphaFold3_Agent - Structure prediction
- PROTAC_Design_Agent - Degrader design
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