AspirinCode / protein-scienceLinks
A collection of useful tutorials for Protein Science
☆18Updated 10 years ago
Alternatives and similar repositories for protein-science
Users that are interested in protein-science are comparing it to the libraries listed below
Sorting:
- Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics☆43Updated 6 months ago
- Analysis of contacts in molecular dynamics trajectories☆45Updated 6 years ago
- Computer aided proximal decaging as a universal strategy for temporal protein activation☆27Updated 7 months ago
- For the purpose of post progressing of MD carried by gromacs☆22Updated 6 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Updated last year
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated last year
- Automated construction of protein chimeras and their analysis.☆15Updated 2 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 10 months ago
- MD pharmacophores and virtual screening☆34Updated 2 years ago
- Molecular Dynamics for Experimentalists☆65Updated 2 months ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆19Updated 4 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated last month
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆78Updated 9 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 7 months ago
- ☆22Updated 9 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 4 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated 2 weeks ago
- The code for the QuickVina homepage.☆36Updated 3 years ago
- ☆53Updated last month
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆25Updated 3 years ago
- PyDock Tutorial☆35Updated 7 years ago
- Fully automated high-throughput MD pipeline☆86Updated last week
- bakerlab pymol scripts☆25Updated 5 years ago
- PyPEF – Pythonic Protein Engineering Framework☆25Updated 3 months ago
- Modelling of Large Protein Complexes☆39Updated 5 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆45Updated last month
- Use AutoDock for Ligand-based Virtual Screening☆22Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago
- The official GitHub repository for the Nature Communications paper "Computational Design of Generalist Cyclopropanases with Stereodiverge…☆11Updated this week