rjdkmr / do_x3dnaLinks
To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories.
☆27Updated 7 months ago
Alternatives and similar repositories for do_x3dna
Users that are interested in do_x3dna are comparing it to the libraries listed below
Sorting:
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆19Updated 6 months ago
- A simple Python library to generate model peptides☆88Updated 5 years ago
- Framework for the rapid modeling glycans and glycoproteins.☆31Updated 2 years ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆46Updated last year
- Python interface for the RCSB PDB search API.☆65Updated 8 months ago
- Structure-informed machine learning for kinase modeling☆58Updated this week
- ☆45Updated last week
- Material from papers from KULL centre☆71Updated last year
- Pymol ScrIpt COllection (PSICO)☆63Updated 3 months ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆37Updated 6 months ago
- PyMod 3 - sequence similarity searches, multiple sequence/structure alignments, and homology modeling within PyMOL.☆82Updated 9 months ago
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆49Updated 3 years ago
- Contact map analysis for biomolecules; based on MDTraj☆46Updated 11 months ago
- Analysis of contacts in molecular dynamics trajectories☆44Updated 6 years ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Updated 5 years ago
- This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…☆87Updated last week
- an integrated tool for molecular docking and virtual screening☆73Updated 5 months ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆76Updated 7 months ago
- An open-source library for the analysis of protein interactions.☆33Updated 3 years ago
- ☆78Updated last month
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆74Updated 2 years ago
- MMTSB Tool Set☆32Updated this week
- Calculation of interatomic interactions in molecular structures☆112Updated last year
- The DSSP building software☆47Updated 2 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Updated 4 years ago
- Educational Notes on Molecular Modeling☆12Updated 5 years ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆83Updated 3 weeks ago
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆68Updated 5 months ago
- Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure☆52Updated 8 months ago
- Software for biomolecular electrostatics and solvation calculations☆116Updated last year