pamellaccar / gromacs_with_packmolLinks
A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.
☆37Updated 2 years ago
Alternatives and similar repositories for gromacs_with_packmol
Users that are interested in gromacs_with_packmol are comparing it to the libraries listed below
Sorting:
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆23Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆73Updated 6 months ago
- Molecular Dynamics for Experimentalists☆63Updated last week
- ☆51Updated 10 months ago
- ☆40Updated 2 years ago
- Self explained tutorial for molecular dynamics simulation using gromacs☆30Updated 10 months ago
- ☆45Updated 5 months ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆37Updated 4 months ago
- Interactive Python notebooks for PDBe API training☆56Updated 2 weeks ago
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆82Updated 3 weeks ago
- Plugin for folding sequences directly in PyMOL☆27Updated 2 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆51Updated 2 months ago
- Slides + Iframe = sliFrame☆55Updated 6 months ago
- This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…☆84Updated last week
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆61Updated 3 weeks ago
- Fully automated high-throughput MD pipeline☆79Updated last month
- Material from papers from KULL centre☆69Updated last year
- Python interface for the RCSB PDB search API.☆65Updated 6 months ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆71Updated 9 months ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆71Updated 2 years ago
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆19Updated 5 months ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆43Updated 2 years ago
- Cloud-based Drug Binding Structure Prediction☆38Updated 7 months ago
- Set of useful HADDOCK utility scripts☆55Updated 3 weeks ago
- Modelling of Large Protein Complexes☆37Updated 2 months ago
- Calculation of interatomic interactions in molecular structures☆108Updated last year
- Google Colab notebooks for running molecular dynamics simulations with GROMACS☆41Updated 2 years ago
- Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…☆36Updated 5 months ago
- ☆72Updated this week