Dynamics of Biomolecular Processes: From Atomistic Representations to Coarse-Grained Models

Mini-School

Mini-School "Advanced simulation methods for biomolecular systems"

The first week of the program is organized as a series of lectures on simulation methods for biomolecular systems. There will be three slots of 120 minutes per day. Each slot consists of two courses of 50 minutes with a break in between. We will have one slot from 9:30-11:30 am, one from 1-3 pm and one from 3:30-5:30 pm. The school will be primarily directed at PhD students and young postdocs who already have some background on simulations of biomolecules. The courses will be held in a seminar room which is equipped with a whiteboard and a projector (beamer).


The schedule of the mini-school is here.

Topics:

Advanced Monte Carlo methods
Molecular dynamics and force fields
Coarse-graining and multiscale methods
Coarse-grained model of proteins
Hydrodynamic and mesoscopic simulations

Keywords:

atomistic force fields, biomolecular force fields, quantum corrections, coarse-grained models, coarse-grained force fields, parameterization strategies, polarization, peptide systems, peptide phase diagram, polypeptide chains, proteins in water, proteins' internal dynamics, simulations of protein folding, long-
timescale motions in folded proteins, multiscale modeling, potentials of mean force, equations of motion, algorithms for their numerical solution, generalized ensemble sampling, tube model, nucleation, replica exchange, simulated tempering, stochastic diffusion, elastic network models, lattice Boltzmann methods, dissipative particle dynamics

Lecturers:

Stefan Auer (University of Leeds)
Ulrich Hansmann (University of Oklahoma)
Jens Harting (TU Eindhoven)
Richard Lavery (University of Lyon)
Kresten Lindorff-Larsen (Copenhagen University)
Adam Liwo (University of Gdansk)
Cristian Micheletti (SISSA, Trieste)
David van der Spoel (Uppsala University)
Alessandra Villa (KI, Stockholm)

In case you are interested in participating in the school please apply by filling in the application form. You will be informed by the organizers shortly after the application deadline whether your application has been approved. Please be ready to submit a short CV upon request.