cabb99 / open3spn2Links
An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM
☆19Updated 7 months ago
Alternatives and similar repositories for open3spn2
Users that are interested in open3spn2 are comparing it to the libraries listed below
Sorting:
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆38Updated 7 months ago
- Material from papers from KULL centre☆71Updated last year
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆50Updated 3 years ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆47Updated last year
- ☆47Updated last month
- Contact map analysis for biomolecules; based on MDTraj☆47Updated last year
- Python library to run structure based model (SBM) simulations using the OpenMM toolkit☆23Updated 3 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆77Updated 8 months ago
- Analysis of contacts in molecular dynamics trajectories☆45Updated 6 years ago
- A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.☆37Updated 2 years ago
- Calculation of interatomic interactions in molecular structures☆115Updated last year
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆68Updated 6 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆30Updated last month
- PyDock Tutorial☆35Updated 7 years ago
- Trusted force field files for gromacs☆65Updated last year
- ☆80Updated 2 months ago
- An open-source library for the analysis of protein interactions.☆33Updated 4 years ago
- Analysis of non-covalent interactions in MD trajectories☆66Updated 11 months ago
- Pymol ScrIpt COllection (PSICO)☆64Updated last week
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆63Updated last week
- Molecular Dynamics for Experimentalists☆65Updated last month
- Framework for the rapid modeling glycans and glycoproteins.☆31Updated 2 years ago
- This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…☆88Updated 2 weeks ago
- AutoDock CrankPep for peptide and disordered protein docking☆55Updated 2 months ago
- ☆40Updated 2 years ago
- Google Colab notebooks for running molecular dynamics simulations with GROMACS☆43Updated 2 years ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆23Updated last year
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆74Updated 2 years ago
- Simple protein-ligand complex simulation with OpenMM☆91Updated 2 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last month