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:
- Analysis of contacts in molecular dynamics trajectories☆44Updated 6 years ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆19Updated 4 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆36Updated 7 months ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆31Updated 2 weeks ago
- Molecular Dynamics for Experimentalists☆63Updated last month
- MD pharmacophores and virtual screening☆34Updated last year
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆60Updated 11 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 …☆28Updated 3 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆35Updated 4 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆39Updated 5 months ago
- Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics☆40Updated 4 months ago
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆22Updated 8 months ago
- For the purpose of post progressing of MD carried by gromacs☆22Updated 4 months ago
- Computer aided proximal decaging as a universal strategy for temporal protein activation☆24Updated 5 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- Fully automated high-throughput MD pipeline☆84Updated 2 months ago
- An open-source library for the analysis of protein interactions.☆32Updated 3 years ago
- ☆22Updated 6 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 2 months ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆54Updated 3 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated last week
- The code for the QuickVina homepage.☆35Updated 3 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆24Updated 3 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆76Updated 7 months ago
- PyDock Tutorial☆34Updated 7 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated this week
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆55Updated 3 weeks ago
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Updated 3 years ago