Molecular Modeling of Biophysical Processes I - Molecular Binding and Protein Structure and Dynamics

Papers are invited that present computational approaches to investigate biological systems at high atomistic and molecular resolution. With the advent of high-performance computing systems there is an increasing capacity to make modeling efforts directly comparable to experimentally observed biological properties and behaviors. In this session, emphasis will be placed in new methodological developments as well as demonstrations of how simulations can be used to gain useful biological insight. This session focuses on processes related to molecular binding and structure-dynamics-function relationship of protein systems.