KULL-Centre / papersLinks
Material from papers from KULL centre
☆71Updated last year
Alternatives and similar repositories for papers
Users that are interested in papers are comparing it to the libraries listed below
Sorting:
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆31Updated last week
- ☆81Updated 3 weeks ago
- Simple protein-ligand complex simulation with OpenMM☆91Updated 2 years ago
- ☆70Updated last year
- A simple Python library to generate model peptides☆95Updated 5 years ago
- Calculation of interatomic interactions in molecular structures☆85Updated 2 weeks ago
- ☆47Updated 2 weeks ago
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆98Updated 2 years ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆72Updated last week
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last month
- Analysis of contacts in molecular dynamics trajectories☆45Updated 6 years ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆38Updated 8 months ago
- Python interface for the RCSB PDB search API.☆65Updated 10 months ago
- Calculation of interatomic interactions in molecular structures☆119Updated last year
- Modelling of Large Protein Complexes☆39Updated 6 months ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆24Updated last year
- A python toolkit for analysing membrane protein-lipid interactions.☆69Updated 3 months ago
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆68Updated 8 months ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆47Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆58Updated this week
- Software for biomolecular electrostatics and solvation calculations☆125Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆79Updated 10 months ago
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆148Updated last year
- Modeling with limited data☆60Updated last month
- ☆56Updated last month
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆138Updated 2 years ago
- ☆89Updated last year
- AutoDock CrankPep for peptide and disordered protein docking☆57Updated 3 months ago
- Trusted force field files for gromacs☆68Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆47Updated 2 months ago