AD
数据与复现
Adaptyv
Adaptyv is a cloud laboratory platform that provides automated protein testing and validation services. Submit protein s…
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数据与复现
TI
time-resolved-cryoem-agent
维护者 FreedomIntelligence · 最近更新 2026年4月1日
Time-resolved cryo-EM analysis for dynamic structural biology.
原始来源
FreedomIntelligence/OpenClaw-Medical-Skills
https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/time-resolved-cryoem-agent
- 维护者
- FreedomIntelligence
- 许可
- MIT
- 最近更新
- 2026年4月1日
技能摘要
来自 SKILL.md 的关键信息
核心说明
- Time-Resolved Cryo-EM Agent leverages time-resolved cryo-electron microscopy to capture protein dynamics，drug-binding kinetics，、 conformational transitions. It integrates AI-powered analysis ，支持 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。
- 用于 capturing protein conformational transitions。
- To understand allosteric mechanisms 、 dynamics。
- When designing drugs targeting specific conformational states。
原始文档
SKILL.md 摘录
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.
适用场景
- When studying drug-binding kinetics structurally。
- 用于 capturing protein conformational transitions。
- To understand allosteric mechanisms 、 dynamics。
- When designing drugs targeting specific conformational states。
不适用场景
- Do not rely on this catalog entry alone ，用于 installation 或 maintenance details。
上游相关技能
- 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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