Software 4 Science
Developments

S4Sd has developed AFFINImeter-ITC, a new software for Isothermal Titration Calorimetry Data Analysis:

AFFINImeter is a web-based application developed to optimize the design of Isothermal Titration Calorimetry (ITC) experiments, to analyze ITC measurements, to aid in the interpretation of ITC data, and to organize and share ITC results.

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KinITC

KinITC is a new method to obtain kinetic information from Isothermal Titration Calorimetry Data. With one single titration experiment it calculates the kinetic constants (kon and koff) and the thermodynamic data (KD and ΔH) of 1:1 binding interactions.

Learn more in Affinimeter - KinITC

On development

AFFINImeter-Spectroscopy

AFFINImeter-Spectroscopy has been designed to analyze binding isotherms from steady-state measurements from different spectroscopic techniques such as NMR, SPR, IR, UV-vis or Fluorescence. It allows curve fitting to complex binding models and global analysis of many isotherms obtained with different techniques.

AFFINImeter-Micellization

AFFINImeter-Micellization allows a full thermodynamic characterization of micellization or demicellization processes measured by Isothermal Titration calorimetry, including the calculation of the micellization number, ΔG of micellization, critical mizellization concentration and the dilution heats of the monomers and micelles.

AFFINImeter-Docking

AFFINImeter-Docking: We are currently developing a docking software that will allow obtaining the structure of supramolecular complexes at atomic resolution level as well as an estimation to the Gibbs energy corresponding to the most probable conformations. This software is being designed to complement the thermodynamic/energetic and kinetic information obtained from AFFINImeter.

FEDER - FONDO EUROPEO DE DESENVOLVEMENTO REXIONAL