GitHub topics: protein-dynamics
Dan-Burns/ChACRA
Reveal protein energy centers.
Language: Python - Size: 6.11 MB - Last synced at: 14 days ago - Pushed at: 15 days ago - Stars: 3 - Forks: 2
Prior-Lab-Durham-University/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++ - Size: 43.6 MB - Last synced at: 26 days ago - Pushed at: 26 days ago - Stars: 3 - Forks: 0
steven-hayward/DynDom1D_Python
DynDom1D_Python is a program for analysing conformational change in proteins in terms of dynamic domains, hinge axes, and hinge-bending regions.
Language: Python - Size: 628 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0
justktln2/ciMIST
Network models of protein conformational entropy from dynamics
Language: Python - Size: 2.11 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0
WaymentSteeleLab/Dyna-1
Model for predicting micro-millisecond motions from protein sequence and/or structure
Language: Jupyter Notebook - Size: 12.8 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 57 - Forks: 6
kernlab-scripps/kernlab-scripps.github.io
Kern Lab website
Language: HTML - Size: 41.1 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 3
Jhsmit/PyHDX
Derive ΔG for single residues from HDX-MS data
Language: Jupyter Notebook - Size: 47.4 MB - Last synced at: 2 days ago - Pushed at: 9 days ago - Stars: 28 - Forks: 14
mixcoha/cha-MD-ba
CHA-MD-BA: Pipeline de Simulación de Dinámica Molecular para el Análisis de Proteínas
Language: Shell - Size: 85.9 KB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0
brendaferrari/PORCUPINEplot
PORCUPINEplot is a script developed to automate the generation of porcupine plots of PCA analysis.
Language: Python - Size: 179 KB - Last synced at: 2 days ago - Pushed at: over 2 years ago - Stars: 4 - Forks: 1
FS-CodeBase/propagon_replication_and_transmission
A structured model and likelihood approach to estimate yeast prion propagon replication rates and their asymmetric transmission
Language: MATLAB - Size: 2.96 MB - Last synced at: 12 months ago - Pushed at: 12 months ago - Stars: 0 - Forks: 0
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 Notebook - Size: 373 MB - Last synced at: 12 months ago - Pushed at: 12 months ago - Stars: 4 - Forks: 1
lcrawlab/SINATRA-Pro
Topological data analytic approach for discovering biophysical signatures in protein dynamics
Language: Python - Size: 34.3 MB - Last synced at: about 1 month ago - Pushed at: over 1 year ago - Stars: 4 - Forks: 1
mikoszczyc/Thesis
Development of Python library for standardized generation and evaluation/characterization of protein structural ensembles.
Language: Python - Size: 6.52 MB - Last synced at: 3 months ago - Pushed at: about 3 years ago - Stars: 1 - Forks: 0
RudoRoemer/pdb2movie
Code for generating movies of the most relevant movement modes of proteins from their PDB files, using rigidity clustering analysis
Language: C++ - Size: 13 MB - Last synced at: 9 months ago - Pushed at: almost 3 years ago - Stars: 3 - Forks: 4
littleblackfish/modeCouplingAnalysis.jl
A julia library for mode coupling analysis of protein simulations
Language: Julia - Size: 289 KB - Last synced at: over 1 year ago - Pushed at: over 10 years ago - Stars: 0 - Forks: 0
niranjchandrasekaran/PyPath
Program to calculate the most probable path between two equilibrium states of a biomolecule
Language: Python - Size: 76.2 KB - Last synced at: 2 months ago - Pushed at: about 5 years ago - Stars: 1 - Forks: 0
Bhattacharya-Lab/PolyFold
An interactive visual simulator for distance-based protein folding
Language: Java - Size: 646 MB - Last synced at: 9 months ago - Pushed at: over 4 years ago - Stars: 24 - Forks: 6
AMarinhoSN/FleXgeo
A package for protein conformational ensemble analyses based on a differential geometry representation of protein backbones.
Language: Python - Size: 4.36 MB - Last synced at: over 2 years ago - Pushed at: over 6 years ago - Stars: 6 - Forks: 2
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: Python - Size: 685 KB - Last synced at: 7 months ago - Pushed at: over 5 years ago - Stars: 1 - Forks: 0
tongwade/protein_dynamics_analysis
protein dynamics analysis
Language: Jupyter Notebook - Size: 285 KB - Last synced at: about 2 years ago - Pushed at: over 6 years ago - Stars: 0 - Forks: 0
