Kavraki Lab

Physical and Biological Computing

Introduction

Introduction

Multiscale techniques have recently emerged as promising tools to combine the efficiency of coarse-grain simulations with the detail of all-atom simulations for the characterization of a broad range of molecular systems in fields such as material science and biophysics. The underlying assumption in the definition of multiscale techniques for protein simulation is that it is possible to reliably and efficiently move between coarse-grain and all-atom models.