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BiMoDyM: Bioinformatics, Molecular Dynamics and Modeling

The Bioinformatics, Molecular Dynamics and Modeling (BiMoDyM) activity is dedicated to cutting-edge interdisciplinary research in computational biology, an emerging scientific discipline that is revolutionizing biology and medicine.

Through the interdisciplinary collaborations between academic disciplines (physics, mathematics, biology) and clinical research, BiMoDyM is working to establish structural and dynamical principles governing complex biological processes, allosteric regulation, and resistance mechanisms.

Combining classical modeling and molecular dynamics simulations methods with creating new theoretical, algorithmic, and software advances for analysing and visualizing of molecular dynamics, BiMoDyM, together with mathematicians and clinicians, generates new hypotheses that explain biological mechanisms in unpredictable previously ways. This scientific cross-fertilization is enriching both fields and will continue to do so in the coming decade.

Four Research topics

  • Mechanisms of Allosteric Regulation in Proteins associated with Cancer and other Severe Diseases
  • The Inhibitory Mechanisms of Clinical Targets
  • Mechanisms of Drug Resistance
  • Development of Computational Methods 

Two Cross-related axes for Exploratory research

  • Exploring the Relationships between Sequences, Structures and Dynamics in Proteins to understand the proteins Function and Dysfunction
  • Development of new computation approaches for addressing challenging topics




  • Computational Biology
  • Protein Structure, Dynamics
    and Function
  • Signaling
  • Allostery and allosteric inhibitors

The MONETA breakthrough

Our research focuses on the identification of the proteins conformational states specific to oncogenic and/or resistant mutated forms.  

Inspired by the milestone concept based on the coupling of the information induced by a local perturbation (effector), we proposed in 2011 the MOdular NETwork Analysis (MONETA), a new method designed to localize the perturbation propagation throughout a protein structure (Laine et al. 2011; Allain et al. 2014].

Training for and trough research

The BiMoDyM students were awarded several times for their research projects. For example: the NovAlix prize in 2013, and the Royal Chemical Society prize in 2014...