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Kick-off meeting of the LIA “Innovative methodological developments for the high-performance simulation of complex biological systems” with University of Illinois at Urbana-Champaign (United States)

23 février 2018

The International Associated Laboratory (LIA) called “Innovative methodological developments for the high-performance simulation of complex biological systems – SML” between the Centre national de la recherche scientifique (CNRS) and the University of Illinois at Urbana-Champaign (UIUC) was launched at the end of 2012. The second phase (up until 2020) has been announced on February 8th and 9th, 2018 at Université de Lorraine in Nancy, combining the announcement of its renewal and a two-day workshop.

The LIA is coordinated in France by Christophe Chipot, CNRS researcher at Laboratoire de Physique et Chimie Théoriques (LPCT) (UMR7019 CNRS / Université de Lorraine) and in the United States by Emad Tajkhorshid from the Beckmann Institute for Advanced Science and Technology at UIUC. Other contributors work at the Center for Training and Research in Mathematics and Scientific Computing (CERMICS at the École des Ponts ParisTech), the Institut de Biologie Structurale and the Institut de Biologie Physico-Chimique, in France, and at the Department of Biochemistry and Molecular Biology at the University of Chicago.

Group picture (from left to right) :
Frédéric Gimello (Grand-Est Regional Delegation for Research and Technology (DRRT)), Jocelyne Dias (CNRS Regional Delegation Centre-Est), Zaida-Ann Schulten (UIUC), Pierre Mutzenhardt (Université de Lorraine – President), Christophe Chipot (CNRS – LPCT), Emad Tajkhorshid (UIUC), Claire Simonnet (City of Nancy), Jean Thèves (CNRS – Europe of research and International Cooperation Department), Bruno Miroux (CNRS – Institute for biological sciences) and François Dehez (CNRS – LPCT).

LIA’s primary objective is to develop methods for high-performance molecular simulation with the aim of understanding the function of complex biological assemblies, transcending the frontiers of traditional disciplines by uniting mathematicians, physicists, theoretical chemists and biologists on both sides of the Atlantic.

Its expertise lies in describing the structure and the dynamic properties of the biological membrane and elucidating the mechanisms of the cell machinery. To attain this goal, its members leverage numerical simulations over size and timescales commensurate with the biological process at hand. Over the years, the team has gleaned milestone results in such diverse research areas as membrane transport, interaction with the biological membrane, membrane protein structure and function, as well as self-organized molecular systems. They also develop original approaches in the field of free-energy calculations to tackle rare events in biology.

Atomic detail of the bacterial photosynthesis machinery / Rhodobacter sphaeroides revealed by a computational microscope
© Melih Sener & Angela Barragan | TCBG, 2017

Website of the LIA SML :