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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

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酶活突变Mutation Design

在线突变工具Online Mutation Tools 本团队工具集合Team Toolset 筹备中Soon

3D建模3D Modeling

AlphaFold3 ServerAlphaFold3 Server AlphaFold3AlphaFold3 AlphaFold3 CLI（JSON 生成）AlphaFold3 CLI (JSON builder) AlphaFold2AlphaFold2 RosettaRosetta RFdiffusion All-AtomRFdiffusion All-Atom ChromaChroma ProGenProGen 在线工具包Online Toolkits 离线工具包Offline Toolkits FASTA → JSONFASTA → JSON ESMFold 快速建模ESMFold (fast) ESMFold2（蛋白+核酸+配体）ESMFold2 (protein + NA + ligand)

酶学计算Enzymology

kcat / Kmkcat / Km 溶解度、稳定性与 pHSolubility, Stability & pH 酶特异性计算Enzyme Specificity 化合物信息库Compound Library 化合物查询Compound Search 酶学反应查询Reaction Search 转运蛋白筛选Transporter Screening 口袋与蛋白通道Pockets & Tunnels 比对与发育树构建Alignment & Phylogeny 酶资源整理申请Enzyme Registration 我的申请记录My Applications 申请记录查找Find Applications 酶资源自助计算Enzyme Self-Service 酶资源自助计算 APISelf-Service API 酶资源自助计算 API 文档Self-Service API Docs

Docking 与 MDDocking & MD

分子对接专栏Molecular Docking 亲和力计算Binding Affinity Gromacs 专栏GROMACS Amber 专栏Amber 过渡态计算Transition States 量子计算专栏Quantum Chemistry 3D 结构特征分析3D Structure Features 工具与程序包Tools & Packages 筹备中Soon

元器件设计Part Design

RBS 设计RBS Design CAS 基因编辑工具包CRISPR-Cas Toolkit 筹备中Soon 生物传感器设计Biosensor Design 筹备中Soon 启动子设计Promoter Design 筹备中Soon 代谢通路设计Metabolic Pathways 菌群设计工具Microbiome Design mRNA 设计mRNA Design 密码子优化器Codon Optimizer 翻译后修饰PTM Prediction 其他工具与程序包Other Tools 筹备中Soon

流程与资源Pipelines & Resources

PipeLine 工作流Pipelines 酶资源列表Enzyme Resources

蛋白质大模型Protein LLM 蛋白质 GPTProteinGPT MCP ToolsMCP Tools MTC SkillsMTC Skills AI toolsAI tools Marker for RAGMarker for RAG 论文合集Paper Collection 筹备中Soon

专项文档Documentation

代谢通量Metabolic Flux Django 教程Django Tutorial 日常网站使用教程Site User Guide

博文专栏Blog Columns

实验方法Lab Methods 编程技巧Programming 论文阅读Paper Reading 视频学习Video Learning 科研新闻Research News 知识专栏Knowledge 招聘与工作Jobs 课题组访谈Lab Interviews

在线工具Online Tools 实验记录Lab Records SCI 论文查询SCI Paper Search SCI 学习总库SCI Library 文件上传（公网）File Upload (Public) 文件上传（局域网）File Upload (LAN) 内网消息系统Internal Messages 内部信息统计Internal Surveys 团队工具库Team Toolkit

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MTC 智能计算中心MTC Computing Center

首页Home

酶活突变Mutation Design 2

在线突变工具Online Mutation Tools 本团队工具集合Team Toolset 筹备中Soon

3D建模3D Modeling 13

AlphaFold3 ServerAlphaFold3 Server AlphaFold3AlphaFold3 AlphaFold3 CLI（JSON 生成）AlphaFold3 CLI (JSON builder) AlphaFold2AlphaFold2 RosettaRosetta RFdiffusion All-AtomRFdiffusion All-Atom ChromaChroma ProGenProGen 在线工具包Online Toolkits 离线工具包Offline Toolkits FASTA → JSONFASTA → JSON ESMFold 快速建模ESMFold (fast) ESMFold2（蛋白+核酸+配体）ESMFold2 (protein + NA + ligand)

酶学计算Enzymology 15

kcat / Kmkcat / Km 溶解度、稳定性与 pHSolubility, Stability & pH 酶特异性计算Enzyme Specificity 化合物信息库Compound Library 化合物查询Compound Search 酶学反应查询Reaction Search 转运蛋白筛选Transporter Screening 口袋与蛋白通道Pockets & Tunnels 比对与发育树构建Alignment & Phylogeny 酶资源整理申请Enzyme Registration 我的申请记录My Applications 申请记录查找Find Applications 酶资源自助计算Enzyme Self-Service 酶资源自助计算 APISelf-Service API 酶资源自助计算 API 文档Self-Service API Docs

Docking 与 MDDocking & MD 8

分子对接专栏Molecular Docking 亲和力计算Binding Affinity Gromacs 专栏GROMACS Amber 专栏Amber 过渡态计算Transition States 量子计算专栏Quantum Chemistry 3D 结构特征分析3D Structure Features 工具与程序包Tools & Packages 筹备中Soon

元器件设计Part Design 10

RBS 设计RBS Design CAS 基因编辑工具包CRISPR-Cas Toolkit 筹备中Soon 生物传感器设计Biosensor Design 筹备中Soon 启动子设计Promoter Design 筹备中Soon 代谢通路设计Metabolic Pathways 菌群设计工具Microbiome Design mRNA 设计mRNA Design 密码子优化器Codon Optimizer 翻译后修饰PTM Prediction 其他工具与程序包Other Tools 筹备中Soon

流程与资源Pipelines & Resources 2

PipeLine 工作流Pipelines 酶资源列表Enzyme Resources

MTCLAB AIMTCLAB AI 7

蛋白质大模型Protein LLM 蛋白质 GPTProteinGPT MCP ToolsMCP Tools MTC SkillsMTC Skills AI toolsAI tools Marker for RAGMarker for RAG 论文合集Paper Collection 筹备中Soon

专项文档Documentation 3

代谢通量Metabolic Flux Django 教程Django Tutorial 日常网站使用教程Site User Guide

博文专栏Blog Columns 8

实验方法Lab Methods 编程技巧Programming 论文阅读Paper Reading 视频学习Video Learning 科研新闻Research News 知识专栏Knowledge 招聘与工作Jobs 课题组访谈Lab Interviews

实验工具Lab Tools 9

在线工具Online Tools 实验记录Lab Records SCI 论文查询SCI Paper Search SCI 学习总库SCI Library 文件上传（公网）File Upload (Public) 文件上传（局域网）File Upload (LAN) 内网消息系统Internal Messages 内部信息统计Internal Surveys 团队工具库Team Toolkit

共有2个化合物记录

编号	kegg_id	pubchemid	name	formula	structure	具体操作
1790	C03292	6149	Mercaptoacetyl-Phe-Leu	C17H24N2O4S
5218	C09890	12076	beta-Obscurine	C17H24N2O

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