pritampanda15 / Molecular-Dynamics
Self explained tutorial for molecular dynamics simulation using gromacs
☆20Updated 2 months ago
Alternatives and similar repositories for Molecular-Dynamics:
Users that are interested in Molecular-Dynamics are comparing it to the libraries listed below
- For the purpose of post progressing of MD carried by gromacs☆19Updated 10 months ago
- A collection of useful tutorials for Protein Science☆17Updated 9 years ago
- Educational Notes on Molecular Modeling☆11Updated 4 years ago
- A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.☆34Updated last year
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆14Updated 7 months ago
- A simple Git cheat sheet☆7Updated 4 years ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆17Updated 3 years ago
- Google Colab notebooks for running molecular dynamics simulations with GROMACS☆28Updated last year
- A unified and modular interface to homology modelling software☆10Updated last year
- A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.☆22Updated 2 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆59Updated 3 months ago
- A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…☆10Updated 3 weeks ago
- ☆39Updated last year
- Generate Ramachandran plots for single PDB structure and as heatmap for MD trajectory☆9Updated 2 years ago
- Personal Notes☆23Updated last month
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆20Updated 5 years ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆28Updated last year
- This is a short tutorial showing how to use both VMD and MDAnalysis to analyse a molecular dynamics simulation of a membrane protein.☆26Updated 4 years ago
- Some notes (cookbook) for pyMol. Protein Crystallography course.☆15Updated 3 years ago
- molecular dynamics simulation and analysis. 分子动力学模拟和分析。☆37Updated 5 years ago
- Cloud-based molecular docking for everyone☆11Updated 6 months ago
- Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…☆34Updated 6 months ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆18Updated 8 months ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆27Updated 6 months ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 4 years ago
- Python library to run structure based model (SBM) simulations using the OpenMM toolkit☆21Updated 2 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆18Updated 3 years ago
- MD pharmacophores and virtual screening☆33Updated last year