Abstract: All-atom and coarse-grained molecular dynamics (MD), Langevin dynamics (LD) and Brownian dynamics (BD) are computational methodologies, which have been applied to spatio-temporal modelling of a number of intracellular processes. I will discuss connections between MD, LD and BD, with a focus on the development, analysis and applications of multi-resolution methods, which use (detailed) MD simulations in localized regions of particular interest (in which accuracy and microscopic details are important) and a (less-detailed) coarser stochastic model in other regions in which accuracy may be traded for simulation efficiency. I will discuss applications of multi-resolution methodologies to modelling of intracellular calcium dynamics, actin dynamics and DNA dynamics.
Bio: Radek Erban is a Professor of Mathematics at the University of Oxford and a Fellow of Merton College, Oxford. He works on the development, analysis and application of mathematical and computational methods to a broad range of real-world systems, ranging from molecular-based modelling of intracellular processes at the nanoscale to studying collective behaviour of cells, animals and robots at the macroscale. He received a European Research Council Starting Grant in 2009 and a Philip Leverhulme Prize in 2010. He was a Royal Society University Research Fellow (2011-2019) in Oxford, where he held junior research fellowships at Brasenose College (2011-2014), Somerville College (2008-2011) and Linacre College (2005-2008). In Cambridge, he was also a visiting fellow of Peterhouse (2016) and a recipient of the Simons Foundation Fellowship at the Isaac Newton Institute in 2016. Since 2020, he has been the Chair of the International Advisory Board of the Institute of Mathematics of the Czech Academy of Sciences.
Meeting ID: 998 2458 4542
Passcode: 475065