Chipot Lab

Research focus

ERC Advanced Grant · 2022

A holistic approach to bridge the gap between microsecond computer simulations and millisecond biological events

Complete understanding of how complex biological objects operate and fulfill their cellular role requires at its core a detailed picture of the millisecond (ms) conformational transitions between functional states. Computational investigation of such ms–events is thwarted by our difficulty—and often impossibility—to identify and sample efficiently the relevant degrees of freedom at play, as well as the current limitation of all-atom molecular dynamics to the microsecond (μs) timescale on common computer architectures. Guided by concrete biological questions that experiment alone has hitherto proven unable to address, we propose a holistic approach to bridge affordable μs–computer…

From the public funding record at EU CORDIS. Describes the funded project, not the reviews below.