HITS-MBM / conanLinks
Analysis of contacts in molecular dynamics trajectories
☆43Updated 5 years ago
Alternatives and similar repositories for conan
Users that are interested in conan are comparing it to the libraries listed below
Sorting:
- Scores for Hydrophobicity and Charges based on SASAs☆37Updated 4 months ago
- Fully automated high-throughput MD pipeline☆80Updated last month
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆35Updated 3 months ago
- An open-source library for the analysis of protein interactions.☆32Updated 3 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆54Updated this week
- Calculation of interatomic interactions in molecular structures☆81Updated 3 years ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- Molecular Dynamics for Experimentalists☆63Updated 2 weeks ago
- The code for the QuickVina homepage.☆35Updated 2 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆74Updated 6 months ago
- Universal framework for physically based computational protein design☆35Updated 2 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆41Updated 2 weeks ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆45Updated 4 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 7 months ago
- Contact map analysis for biomolecules; based on MDTraj☆46Updated 10 months ago
- ☆33Updated last year
- Code for ApoDock☆20Updated 6 months ago
- ☆96Updated 8 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆29Updated last month
- ☆27Updated 2 weeks ago
- ☆35Updated 2 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆52Updated 2 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆51Updated last month
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆82Updated 3 weeks ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆71Updated 3 weeks ago
- PyDock Tutorial☆34Updated 7 years ago
- Making Protein folding accessible to all!☆24Updated last year
- FreeSASA Python Module☆56Updated 2 months ago