Bioinformatique structurale

Protein secretion in bacteria is highly specific. Substrates secreted via the Type II secretion nanomachines are fully folded prior to secretion and are specifically recognized in their native state. In some cases, they even […]

Design of Antiviral drugs for Bronchiolitis Virus using a novel therapeutic target.

New TARGETs for osteoporosis: from mesenchymal stem cells to the regulation of osteogenesis and BONE mass.

Pathogenic protozoans of the trypanosomatid group still remain a major world health problem. Cycling between insect vectors and mammalian hosts, Trypanosoma cruzi is the causative agent of Chagas disease, while over 20 Leishmania species […]

The Innovative Training Network ViBrANT (Viral and Bacterial Adhesin Network Training) brings together world-leading European scientists to train 15 graduate students (early stage researchers) in interdisciplinary research into viral and bacterial adhesins. ViBrANT is […]

Protein-Protein Interactions (PPIs) are involved in most biological process and diseases. With a recently estimated number of 370,000 PPIs in humans, they constitute a large ‘reservoir’ for therapeutic development compared to ‘conventional’ drug targets. […]

Protein structure determination is crucial for understanding protein function, as it paves the way to the discovery of new drugs and of new approaches to control pathological biological processes. The recent advances in structural […]

AEGIS is a Marie Skłodowska -Curie Innovative Training Network (ITN) for early stage researchers (ESR) funded by the European Commission under the H2020 Programme the EU framework programme for research and innovation. The principal […]

During the last decades, structural biology allowed to incredibly improve the information on the biological objects, from single biomolecules to molecular assemblies, and to get a better description  of the physics underlying the interactions […]

New therapeutic strategies are needed to combat the pandemics and the spread of multidrug resistant form of tuberculosis. This collaborative project between our group and Institut Pasteur of Korea aims to decipher the molecular […]

Type IV pili and pseudopili: structure, dynamics, assembly and molecular function Type IV pili and pseudopili assembled by type 2 secretion systems (T2SS) are thin dynamic fibers that perform diverse functions, from  adherence, motility, […]

A Bayesian Framework for Cellular Structural Biology Objective : “The functioning of a single cell or organism is governed by the laws of chemistry and physics. The bridge from biology to chemistry and physics […]

About Bip:Bip The project Bip:Bip promotes an integrated use of known and modelled three-dimensional structures of proteins as an aid in complete genome annotation. The architectural organization of biological macromolecules is essential for the […]

Centre for the Analysis of Complex Systems in Complex Environments About CACSICE Cells function through transient interactions of macromolecular complexes. Understanding fully the dynamic processes of life at the molecular level requies understanding the […]

Bacteria display several mechanisms to adapt to their host-environment and successfully colonise it. One important mechanism of adaptation concerns the regulation of gene expression in response to external signals such as the presence of […]

Concerted effort to address rational drug design against Chagas disease Through a multidisciplinary approach that combine medicinal chemistry, structural bioinformatics, molecular docking and immunobiology of the infectious process, we identified two new inhibitors of […]

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 […]

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. […]

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 […]

The ARIAweb server provides access to the main ARIA software functionalities (NMR data conversion and structure calculation). In addition, structure calculation results can be easily visualised, with a dedicated molecular viewer and graphical displays […]

PLUMED-NEST is the public repository of the PLUMED consortium. It provides all the data needed to reproduce the results of a PLUMED-enhanced molecular dynamics simulation (or analysis) contained in a published paper. Furthermore, PLUMED-NEST […]

In order to boost the identification of low-molecular-weight drugs on protein-protein interactions (PPI), it is essential to properly collect and annotate experimental data about successful examples. This provides the scientific community with the necessary […]