How to Model the Action of Complex Biological Systems on a Molecular Level

Presenter: Arieh Warshel

Published: July 2015

Age: 18-22 and upwards

Views: 812 views

Tags: computer;model;ion;channel;information;cell

Type: Lectures

Source/institution: Lindau-Nobel

Despite the enormous advances in structural studies of biological systems we are frequently left without a clear structure function correlation and cannot fully describe how different systems actually work. This introduces a major challenge for computer modeling approaches that are aimed at a realistic simulation of biological functions. The unresolved questions range from the elucidation of the basis for enzyme action to the understanding of the directional motion of complex molecular motors. Here we review the progress in simulating biological functions, starting with the early stages of the field and the development of QM/MM approaches for simulations of enzymatic reactions (1).