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Development of multi-scale molecular models, force fields and computer software for biomolecular simulation

Objectif

During the past decades the PI has helped shape the research field of computer simulation of biomolecular systems at the atomic level. He has carried out one of the first molecular dynamics (MD) simulations of proteins, and has since then contributed many different methodological improvements and developed one of the major atomic-level force fields for simulations of proteins, carbohydrates, nucleotides and lipids. Methodology and force field have been implemented in a set of programs called GROMOS (GROningen MOlecular Simulation package), which is currently used in hundreds of academic and industrial research groups from over 50 countries on all continents. It is proposed to develop a next generation of molecular models, force fields, multi-scaling simulation methodology and software for biomolecular simulations which is at least an order of magnitude more accurate in terms of energetics, and which is 1000 times more efficient through the use of coarse-grained molecular models than the currently available software and models.

Appel à propositions

ERC-2008-AdG
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Régime de financement

ERC-AG - ERC Advanced Grant

Institution d’accueil

EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH
Contribution de l’UE
€ 1 320 000,00
Adresse
Raemistrasse 101
8092 Zuerich
Suisse

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Région
Schweiz/Suisse/Svizzera Zürich Zürich
Type d’activité
Higher or Secondary Education Establishments
Contact administratif
Willem Frederik Van Gunsteren (Prof.)
Chercheur principal
Willem Frederik Van Gunsteren (Prof.)
Liens
Coût total
Aucune donnée

Bénéficiaires (1)