Workshop in the MIDST of Accessing Long Time and Large Length Scales: Coarse-Grained Simulations
Sabanci University - Altunizade Campus, Istanbul, Turkey
Date: March 27, 2026
In the theory session, we will introduce the transition from atomistic molecular dynamics simulations to coarse-grained (CG) models and discuss how coarse-graining enables accession to longer time and larger length scales. The session will include an overview of the Martini force field, basic mapping strategies, and the use of GROMACS for the system setup and simulation. An introduction to ligand parameterization within the Martini framework will also be provided.
In the hands-on session, participants will set up and run coarse-grained simulations using GROMACS. Practical exercises will include trajectory analysis, dynamics evaluation, and an introduction to backmapping from coarse-grained to atomistic resolution.
Level: Basic familiarity with molecular dynamics and working in Linux environment is recommended. Prior experience with coarse-grained simulations is not required.
