Structure Content

Our computer program ARIA (Ambiguous Restraints for Iterative Assignment) is a software for automated NOE assignment and NMR structure calculation. It speeds up and automatizes the assignment process through the use of an iterative […]

IMP‘s broad goal is to contribute to a comprehensive structural characterization of biomolecules ranging in size and complexity from small peptides to large macromolecular assemblies, by integrating data from diverse biochemical and biophysical experiments. […]

This software allows to calculate the most probable pathway between two conformational states of the same macromolecule, using the Elastic Network model for the Energy landscape of each of the two states. See http://lorentz.dynstr.pasteur.fr/joel/index.php […]

This software helps in understanding the dynamical properties of (very) large macromolecular assemblies, through Normal Modes. The software is co-developed with Patrice Kohl (UC Davis, USA). Please visit our older web page on Normal […]

PLUMED is an open-source library for free-energy calculations in molecular systems, which works together with some of the most popular molecular dynamics engines. Free-energy calculations can be performed as a function of many order […]

ProteoCombiner is a high-performance software integrating shotgun with top-down proteomic data. The tool can deal with multiple experiments and search engines. It enables rapid and easy visualization, manual validation, and comparison of the identified […]