protein-dynamics

There are 18 repositories under protein-dynamics topic.

  • PyHDX

    Jhsmit/PyHDX

    Derive ΔG for single residues from HDX-MS data

    Language:Jupyter Notebook28325412

  • Bhattacharya-Lab/PolyFold

    An interactive visual simulator for distance-based protein folding

    Language:Java24406

  • sambitmishra0628/PSP-GNM

    Prediction of protein thermodynamic stability changes upon mutations through a Gaussian Network Model simulating protein unfolding behavior

    Language:Python10303

  • AMarinhoSN/FleXgeo

    A package for protein conformational ensemble analyses based on a differential geometry representation of protein backbones.

    Language:Python8112

  • Hekstra-Lab/colav

    Calculate protein structural representations (dihedral angles, CA pairwise distances, and strain analysis) for downstream analysis (e.g., PCA, t-SNE, or UMAP).

    Language:Jupyter Notebook4201
  • SINATRA-Pro

    lcrawlab/SINATRA-Pro

    Topological data analytic approach for discovering biophysical signatures in protein dynamics

    Language:Python4101
  • PORCUPINEplot

    brendaferrari/PORCUPINEplot

    PORCUPINEplot is a script developed to automate the generation of porcupine plots of PCA analysis.

    Language:Python3121

  • mckeownish/carbonara

    C++ package that provides tools for correcting structural predictions of proteins (eg. from X-Ray Crystallography or AlphaFold) using X-ray small-angle scattering (SAXS) in solution

    Language:C++3120

  • RudoRoemer/pdb2movie

    Code for generating movies of the most relevant movement modes of proteins from their PDB files, using rigidity clustering analysis

    Language:C++3534

  • sambitmishra0628/AR-PRED_source

    Predicting allosteric and active site residues in proteins with machine learning and protein sequence, structure and dynamics features

    Language:MATLAB2111

  • c-sinner/sbm-tools

    sbm-tools is a simple python package for creating, modifying, and maintaining input files for native Structure-Based Model simulations to be used with the popular simulation software GROMACS.

    Language:Python1200

  • mikoszczyc/Thesis

    Development of Python library for standardized generation and evaluation/characterization of protein structural ensembles.

    Language:Python1100

  • niranjchandrasekaran/PyPath

    Program to calculate the most probable path between two equilibrium states of a biomolecule

    Language:Python1010

  • directysj/Polymers

    Coarse-grained sticker spacer model of proteins

    Language:C++00

  • FS-CodeBase/propagon_replication_and_transmission

    A structured model and likelihood approach to estimate yeast prion propagon replication rates and their asymmetric transmission

    Language:MATLAB0100

  • littleblackfish/modeCouplingAnalysis.jl

    A julia library for mode coupling analysis of protein simulations

    Language:Julia0200

  • tongwade/protein_dynamics_analysis

    protein dynamics analysis

    Language:Jupyter Notebook0200

  • kernlab-scripps/kernlab-scripps.github.io

    Kern Lab website

    Language:HTML