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☆43Updated 5 years ago
- Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics☆31Updated 3 weeks ago
- For the purpose of post progressing of MD carried by gromacs☆22Updated 2 weeks ago
- Fully automated high-throughput MD pipeline☆61Updated 3 weeks ago
- MD pharmacophores and virtual screening☆33Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆70Updated 3 months ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆19Updated 3 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 4 months ago
- Molecular Dynamics for Experimentalists☆58Updated last week
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated 5 months ago
- ☆21Updated 7 months ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- ☆33Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆22Updated 10 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆49Updated 6 months ago
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- ☆39Updated last year
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- ☆48Updated 7 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- model builder for molecular dynamics simulations☆13Updated 2 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated last month
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆28Updated 7 months ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated last month
- Code for ApoDock☆20Updated 3 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆27Updated last year