philipwfowler / simple-membrane-protein-analysisView external linksLinks
This is a short tutorial showing how to use both VMD and MDAnalysis to analyse a molecular dynamics simulation of a membrane protein.
☆28Oct 1, 2020Updated 5 years ago
Alternatives and similar repositories for simple-membrane-protein-analysis
Users that are interested in simple-membrane-protein-analysis are comparing it to the libraries listed below
Sorting:
- molecular dynamics simulation and analysis. 分子动力学模拟和分析。☆41Oct 3, 2019Updated 6 years ago
- Materials, issues and things for the 2018 Workshop and Hackathon☆14Jul 25, 2025Updated 6 months ago
- Using Gomacs from IPython notebook☆20Apr 8, 2014Updated 11 years ago
- Workshop - Analysis of Molecular Dynamics Simulation Using Python☆19Aug 14, 2020Updated 5 years ago
- Data files and scripts for the ASU PHY494 class. Will be updated as we go along.☆10Jan 6, 2022Updated 4 years ago
- Gromacs molecular dynamics simulation analysis scripts☆10Apr 5, 2022Updated 3 years ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Apr 7, 2022Updated 3 years ago
- ☆11Jan 21, 2019Updated 7 years ago
- Personal Notes☆23Jul 12, 2025Updated 7 months ago
- Python tools for VMD☆10Jun 3, 2018Updated 7 years ago
- Self explained tutorial for molecular dynamics simulation using gromacs☆43Nov 16, 2024Updated last year
- Density based object completion over PBC.☆30Dec 10, 2024Updated last year
- ☆27Sep 1, 2021Updated 4 years ago
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆11Jun 15, 2019Updated 6 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- ☆13Sep 4, 2021Updated 4 years ago
- Repository for material from the 2020 MC/MD Summer Workshop☆14Jul 12, 2024Updated last year
- Microscopy software framework☆26Sep 24, 2024Updated last year
- MMTSB Tool Set☆33Jan 26, 2026Updated 2 weeks ago
- Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets☆12Feb 21, 2021Updated 4 years ago
- Automated construction of protein chimeras and their analysis.☆15Sep 29, 2023Updated 2 years ago
- test☆14Nov 13, 2020Updated 5 years ago
- A collection of scripts which I have developed to use GROMACS, for both compute clusters and post-simulation analysis.☆11Jul 15, 2014Updated 11 years ago
- ☆37Feb 14, 2022Updated 4 years ago
- ☆16Jul 28, 2022Updated 3 years ago
- parKVFinder: thread-level parallel KVFinder☆15May 9, 2025Updated 9 months ago
- How to make images for publication using VMD☆42May 5, 2021Updated 4 years ago
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.☆35Jan 2, 2021Updated 5 years ago
- Classical molecular dynamics proxy application.☆31Jun 29, 2020Updated 5 years ago
- A collection of molecular modelling tools for UCSF Chimera☆17Mar 26, 2019Updated 6 years ago
- Using neural networks for enhanced sampling in computational biophysics☆16Aug 17, 2017Updated 8 years ago
- Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen☆73Aug 11, 2023Updated 2 years ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆20Jan 27, 2026Updated 2 weeks ago
- 2018 RDKit UGM☆14Sep 28, 2018Updated 7 years ago
- DISTEVAL: A web-server for evaluating protein inter-residue distances☆18Mar 7, 2022Updated 3 years ago
- Wrapper script for preparing explicitly solvated systems for molecular dynamics simulations with Amber.☆17Feb 6, 2026Updated last week
- ☆37Mar 31, 2023Updated 2 years ago
- Flexible Artificial Intelligence Docking☆17Aug 27, 2025Updated 5 months ago
- Examples of using the Atomic Simulation Environment☆39Feb 15, 2016Updated 9 years ago