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Protein dynamics (NMR-based proteomic analysis)

Nuclear magnetic resonance (NMR) is a powerful tool for observing the motion of biomolecules at the atomic level. One technique, the analysis of relaxation dispersion phenomenon, is highly suited for the analysis of molecule dynamics.

CoNSEnsX
Web
Desktop

CoNSEnsX Compliance of NMR-derived Structural Ensembles with eXperimental data

Performs general ensemble-based validation step and a simple and…

Performs general ensemble-based validation step and a simple and straightforward, multi-purpose selection option. CoNSEnsX permits to assess the correspondence of ensembles to experimental nuclear…

FlexPred
Web
Desktop

FlexPred

Predicts absolute per-residue fluctuation from a three-dimensional protein…

Predicts absolute per-residue fluctuation from a three-dimensional protein structure. FlexPred is designed to predict the fluctuations exhibited by a protein during a 10 ns MD simulation. It uses…

CATIA
Desktop

CATIA Cpmg, Anti-trosy, and Trosy Intelligent Analysis

Designed to analyze CPMG relaxation dispersion data and extract chemical…

Designed to analyze CPMG relaxation dispersion data and extract chemical exchange parameters of a two-site chemically exchanging system (A = B).

relax
Desktop

relax

Allows to study molecular dynamics by analyzing nuclear magnetic resonance…

Allows to study molecular dynamics by analyzing nuclear magnetic resonance (NMR) relaxation data. Relax has been written as a modular collection of data analysis tools. A Graphical User Interface…

GUARDD
Desktop
ShereKhan
Web

ShereKhan

Analyzes Carr–Purcell–Meiboom–Gill (CPMG) relaxation dispersion profiles.…

Analyzes Carr–Purcell–Meiboom–Gill (CPMG) relaxation dispersion profiles. ShereKhan provides an easy way to calculate exchange parameters (rates, relative populations and their structural…

NESSY
Desktop

NESSY NMR rElaxation diSpersion SpectroscopY

An open source software to analyse NMR relaxation dispersion data of either…

An open source software to analyse NMR relaxation dispersion data of either CPMG or R1p (R1rho) dispersion experiments.

CPMGFit
Desktop

CPMGFit

It can be used to fit CPMG relaxation dispersion data for analysis of chemical…

It can be used to fit CPMG relaxation dispersion data for analysis of chemical exchange phenomena in NMR spectroscopy.

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