Derive ΔG for single residues from HDX-MS data
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Updated
May 21, 2024 - Python
Derive ΔG for single residues from HDX-MS data
An interactive visual simulator for distance-based protein folding
A package for protein conformational ensemble analyses based on a differential geometry representation of protein backbones.
Prediction of protein thermodynamic stability changes upon mutations through a Gaussian Network Model simulating protein unfolding behavior
Topological data analytic approach for discovering biophysical signatures in protein dynamics
Code for generating movies of the most relevant movement modes of proteins from their PDB files, using rigidity clustering analysis
Predicting allosteric and active site residues in proteins with machine learning and protein sequence, structure and dynamics features
PORCUPINEplot is a script developed to automate the generation of porcupine plots of PCA analysis.
Program to calculate the most probable path between two equilibrium states of a biomolecule
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.
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
Calculate protein structural representations (dihedral angles, CA pairwise distances, and strain analysis) for downstream analysis (e.g., PCA, t-SNE, or UMAP).
Kern Lab website
A julia library for mode coupling analysis of protein simulations
Development of Python library for standardized generation and evaluation/characterization of protein structural ensembles.
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