💡
💡
💡
💡
know
HomeGitHubScholarCourse Notes
Search…
🛬
Landing Page
⚖️ Comparing Similar Words
Today I Learned/Achieved
Business, Economics, Accounting and Finance
Finance Jargons
Types of Assets (Finance)
Other Tech Topics
Code Style Guide and Review Standards
Notes on testing Polymer elements with Jasmine
Noogler 100: So you accepted Google's offer; what now?
Ming's Backyard: A teaching material for Girls Who Code Club, Millbrae (Dec. 7)
Moans and Groans for Technologies
UI/UX Design Languages
Questions to ask the engineers before dogfooding a hardware
What to do with a Raspberry Pi?
How to derive the energy of a electromagnetic plane wave
I revised my code from 10 years ago
Data Science
Ways to improve the performance of a SQL MERGE statement
Where to find Brain MRI / NeuroImaging Datasets?
Where to find protein data and run basic Molecular Dynamics simulation
Types of Parallel Computing
🐋
How to Install auto-sklearn on macOS 10.14~10.15
Notes from SIGIR2020
Surveys and Questionnaires
Text Mining
Data Warehousing
Neural Networks
Setups
Data Science Workspace
🐧
Switching from macOS to Linux
💻
Computer Hardware Setups
📝
Organizing Notes
🌐
Set Up My Own VPN
⌨️ Shortcut Keys on my Mac
Set up Restic for backups using Google Drive
On writing a book with LyX
iPad pro as a Linux machine
Life Experiences
Being: What I am
Owning: Things I Own
Doing: Stuff I do
🎓
Academic Fields I've Studied / Researched
🏘
Flat/House Hunting in Mountain View
Filing Tax Return in the States
😂
How to Be A Fun Person
🔁
Managing Habits
I present to you, life simulation 1.0
Talks Worth Watching
中文 (Chinese)
讲各种语言时发生的囧事
我与身边人的有趣对话
Clubhouse 玩法收集
Powered By GitBook
Where to find protein data and run basic Molecular Dynamics simulation
Monday, July 11, 2016 at 08:47

​MDWeb is a handy tool

How to run a simulation: http://mmb.irbbarcelona.org/MDWeb//help.php?id=tutorial​
How to run an analysis: http://mmb.irbbarcelona.org/MDWeb//help.php?id=tutorialAnalysis​

Get a structure file of the protein you wanna study

Some webtools requires an actual file to be uploaded for processing.
Download the structure file of the protein you want to study from the Protein Data Bank (PDB). I'm using the spider toxin here.

​We-nmr: A worldwide e-Infrastructure for NMR and structural biology

They provide many tools:
    3D-DART
    AMBER
    CcpNmr Analysis
    CcpNmr FormatConverter
    CING
    CNS
    CS-ROSETTA
    CYANA
    FANDAS
    HADDOCK
    GROMACS
    MARS
    TALOS+
    UNIO
    XPLOR-NIH
We can use the GROMACS web server. Tutorial can be found here.
Data Science - Previous
Where to find Brain MRI / NeuroImaging Datasets?
Next - Data Science
Types of Parallel Computing
Last modified 1yr ago
Copy link
Contents
MDWeb is a handy tool
Get a structure file of the protein you wanna study
We-nmr: A worldwide e-Infrastructure for NMR and structural biology