pierrepo / PBxploreLinks
A suite of tools to explore protein structures with Protein Blocks
☆29Updated 4 years ago
Alternatives and similar repositories for PBxplore
Users that are interested in PBxplore are comparing it to the libraries listed below
Sorting:
- Automated omics-scale protein modeling and simulation setup.☆53Updated 3 years ago
- Integrating Molecular Simulation and Experimental Data☆24Updated 3 years ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Updated last year
- ☆45Updated 3 months ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆36Updated 2 months ago
- The OpenMM Cookbook and Tutorials☆46Updated last year
- Pymol ScrIpt COllection (PSICO)☆60Updated last month
- MMTSB Tool Set☆31Updated 2 months ago
- This repo contains the collection of codes to find designer interfacial mutations☆17Updated last year
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆41Updated 3 months ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated 2 weeks ago
- Use UCSF Chimera Python API in a standard interpreter☆58Updated 6 years ago
- A Deep Learning based protein flexibility prediction tool.☆9Updated 2 years ago
- Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic b…☆35Updated last week
- Structure-informed machine learning for kinase modeling☆56Updated this week
- ☆69Updated last month
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆12Updated last year
- pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of str…☆27Updated 4 years ago
- Python package built around protein structure and dynamics. OpenBabel-inspired objects.☆36Updated 2 months ago
- Analysis of non-covalent interactions in MD trajectories☆59Updated 7 months ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated 2 years ago
- Data visualizations for biomolecular dynamics☆17Updated 6 years ago
- Code and resources for the EPSRC BioSimSpace project.☆79Updated 9 months ago
- pKa estimates for proteins using an ensemble approach☆28Updated last month
- Modeling with limited data☆59Updated last month
- Framework for the rapid modeling glycans and glycoproteins.☆30Updated last year
- Printing text using protein structures☆13Updated 4 years ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- mdml: Deep Learning for Molecular Simulations☆44Updated 2 months ago