draskot / Vini
The Vini in silico model of cancer
☆11Updated 5 months ago
Alternatives and similar repositories for Vini:
Users that are interested in Vini are comparing it to the libraries listed below
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆59Updated 3 months ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆17Updated 6 months ago
- ☆27Updated last year
- a universal framework for computational protein design☆35Updated last year
- Google Colab notebooks for running molecular dynamics simulations with GROMACS☆28Updated last year
- PyDock Tutorial☆30Updated 6 years ago
- ☆38Updated last year
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 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…☆34Updated 6 months ago
- MMTSB Tool Set☆31Updated 2 months ago
- A collection of useful tutorials for Protein Science☆17Updated 9 years ago
- Analysis of contacts in molecular dynamics trajectories☆42Updated 5 years ago
- Set of useful HADDOCK utility scripts☆50Updated 4 months ago
- CArbohydrate-Protein Site IdentiFier☆10Updated last year
- Making Protein folding accessible to all!☆19Updated last year
- PyMOL Plugin for displaying polar contacts☆16Updated 5 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated last year
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆26Updated 9 months ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆41Updated 10 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆42Updated 3 weeks ago
- De novo design of small molecule binding sites into proteins☆13Updated 3 years ago
- Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3☆27Updated 5 months ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆35Updated 5 months ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆20Updated 5 years ago
- An accurate and efficient protein sequence design approach☆22Updated last year
- ☆45Updated 3 weeks ago
- MD pharmacophores and virtual screening☆33Updated last year
- Collection of Python scripts to setup and run simulations with OpenMM☆15Updated 4 years ago
- 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