ITC data analysis contest – New submission Date

A few days ago AFFINImeter launched an Isothermal Titration Calorimetry (ITC) data analysis contest. At this point no one has been able to finish the challenge, eventhough there is a considerable amount of participants. Since the main goal of the contest is to give all our AFFINImeter users an educational tool to get experience in the process of ITC data analysis.

Therefore, we would not be satisfied if some of you ran  out of time. For this, we have decided to extend the contest deadline to January 31st

Join the Challenge

We encourage all people interested in molecular binding analysis, not only based on ITC data but also on any other experimentaltechnique, to participate in this challenge. If you are an expert in the analysis of thermodynamic data this is a nice opportunity for you!

Find the best combination of model & parameters for the target data and win a Kindle Fire HD 7 just sending us your results.

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Isothermal Titration Calorimetry Data Analysis Contest

If you are a beginner in the analysis of ITC or, in general, of binding experiments, this challenge is also perfect for you since it will give you the opportunity to learn how to analyse actual ITC measurements. Our scientific team has selected some really interesting experiments and prepared some instructions that will guide you in the analysis process.

Learn the difference between stoichiometric and site equilibrium constants

By trying to solve this contest you will learn the difference between stoichiometric and site equilibrium constants, you will see how to easily perform a global analysis of several isotherms, and even how to find the, eventually unknown, concentration of active protein in a given experiment. Sign up HERE  and you will get free access to AFFINImeter. Please, do not hesitate to encourage your labmates to join us. People from the whole world are already participating!

Download Poster here
AFFINImeter logo

AFFINImeter Beta Version Release

AFFINImeter is the most complete software for Isothermal Titration Calorimetry data Analysis. You can easily  build your own Binding Models or Perform Global Simultaneous Analysis of several Isotherms, among other features.

Here is the list of main implementations and changes in the released Beta version of AFFINImeter:

  1. A new model family, for Isothermal Titration Calorimetry Data Analysis, that considers the independent binding of one or two (competitive) different compounds to a macromolecule has been implemented. This is a generalization of the so called “two sets of independent sites (TSIS)” models that may consider any number of different and independent sets with any number of identical and independent sites per set.
  2.  Binary origin files (with OPJ extension) coming from microcal ITCs can now be directly uploaded. This facilitates the work by avoiding intermediate files and potential errors in the format. TA experiments can also be uploaded as in the previous version.
  3.  Simulation and Fitting results can be easily shared by e-mail. AFFINImeter is the only software able to make simulations for any model. This tool is free for any registered user. Simulations are extremely useful in several situations: (i) to optimize the experimental setup of an experiment; (ii) once a system has been analyzed it allows predicting the conditions under which the distribution of chemical species meet some special requirement (for instance, the solution dominated by a given chemical species); and (iii) for didactic purposes, to illustrate how a chemical species can be displaced by another, to explain the difference between cooperative and non-cooperative processes or to explain the effect of endothermic and exothermic processes
  4. Several optimizations, including calculations and also the protection of data, have been performed. Some occasional noise was detected in the calculated fitting curve of the previous version of AFFINImeter. This is connected to the noise of the experimental data points and also to the approach employed to correct for the displacement of volume in Microcal and TA ITC instruments. A new algorithm was implemented to globaly fit all the data points, thus minimizing this kind of problems
  5. It is possible to remove data points when editing dataseries as well as when uploading them to a project. This is really useful to make several tests of the same dataseries by removing different points on the experimental curve.

Functionalities of the previous version of AFFINImeter are still active, with AFFINImeter you can:

  • Design your own sequential binding model by using our model builder tool. It is possible to design models, from an Isothermal Titration Calorimetry experiment, involving up to three different compounds with two ligands that compete with each other to bind a macromolecule. The second ligand may be in the cell or/and in the syringe. Dissociation of any order (from simple homodimers to complex hetero-oligomers) induced by dilution experiments can also be easily analyzed.
  • Analyze the presence of local minima by repeating fittings starting from different random seeds for the parameters
  • Include dynamic relationships between parameters
  • Include dynamic bounds to restrain the fitting parameters
  •  Correct for the effective concentration of any of the compounds of the experiment by fitting a scaling factor
  • Fit several curves simultaneously to minimize the statistical uncertainty of the fitting parameters
  • Manage associate accounts for your students and collaborators. Administrator account owners will have access to the full activity of their associated users
  •  Share your results by e-mail with your collaborators. They will get direct access to the measurements, fitting curve and fitted parameters of the experiments you decide to share with your colleagues.
  • Organize your projects and access them from any device

We won the 4th Poster Award in DiPIA 2014

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AFFINImeter attended the Development in Protein Interaction Analysis (DiPIA) Conference in La Jolla, CA this June 2014, where we were part of the leading scientists working in protein interactions.

We are glad to tell you that our Poster of AFFINImeter: a new tool for analysis of Isothermal Titration Calorimetry experiments has been awarded with the 4th prize of the poster competition. Thanks to our representative J. Sabín of doing such a good job presenting AFFINImeter.

If you haven’t registered yet to try the beta version visit our webpage www.affinimeter.com or contact us at info@affinimeter.com

Download the poster here

AFFINImeter is present in the DiPIA 2014 Conference

This weekend we are joining the leading scientists at the Development in Protein Interaction Analysis (DiPIA) conference. A representative of AFFINImeter will present  a new tool to analyze Isothermal Titration Calorimetry Experiments.

New generations of Isothermal Titration Calorimetry (ITC) equipments have significantly improved their performance in terms of higher sensitivity and lower sample size requirements. Thus, physicochemical processes that were undetectable in the past by ITC are now sensed with high precision. In contrast to the progress achieved in instrumentation, ITC data analysis is still limited in many aspects. Researchers often face complicated situations that cannot be represented by standard binding models i.e. the formation of higher order complexes, the presence of multiple candidates to bind the host molecule and/or the simultaneous occurrence of binding and aggregation processes.

AFFINImeter allows to design personalized binding models directly in chemical language, through an original user-friendly interface that allows the design of advanced models.

 

AFFINImeter Applications to Isothermal Titration Calorimetry and other spectroscopy Techniques
Examples of new applications that can be studied with AFFINImeter