Programme

I.7 -- Invited, VCTP-44

Date: Tuesday, 30 July 2019

Time: 14:00 - 14:30

Computer simulations of amyloid proteins in various environments and folded proteins in a cell-like environment

Philippe Derreumaux

Laboratory of Theoretical Biochemistry, UPR9080 CNRS, Université de Paris, Paris Sciences Lettres, IBPC, 13 rue Pierre et Marie Curie, 75005, Paris, France

I shall present where OPEP coarse-grained force field and atomistic force fields coupled to advanced sampling techniques stand in the context of amyloid proteins associated with Alzheimer’s disease. The understanding of protein behavior in cell-like environments is a challenge because of the size and the spread of length- and time-scales characterizing the systems, and I shall show where we are in this context using OPEP simulations.
References
[1] Nasica-Labouze J, Nguyen PH, Sterpone F, Berthoumieu O, Buchete NV, Coté S, De Simone A, Doig AJ, Faller P, Garcia A, Laio A, Li MS, Melchionna S, Mousseau N, Mu Y, Paravastu A, Pasquali S, Rosenman DJ, Strodel B, Tarus B, Viles JH, Zhang T, Wang C, Derreumaux P. Chem Rev. 2015 May 13;115(9):3518-63.
[2] Sterpone F, Melchionna S, Tuffery P, Pasquali S, Mousseau N, Cragnolini T, Chebaro Y, St-Pierre JF, Kalimeri M, Barducci A, Laurin Y, Tek A, Baaden M, Nguyen PH, Derreumaux P. Chem Soc Rev. 2014 Jul 7;43(13):4871-93.

Presenter: Philippe Derreumaux