Multiscale modeling of biological functions

Multiscale modeling of biological functions.

Recent years have witnessed a tremendous explosion in computational power, which in turn has resulted in great progress in the complexity of the biological and chemical problems that can be addressed by means of all-atom simulations. Despite this, however, our computational time is not infinite, and in fact many of the key problems of the field were resolved long before the existence of the cur...

Multiscale modeling of biological pattern formation.

In the past few decades, it has become increasingly popular and important to utilize mathematical models to understand how microscopic intercellular interactions lead to the macroscopic pattern formation ubiquitous in the biological world. Modeling methodologies come in a large variety and presently it is unclear what is their interrelationship and the assumptions implicit in their use. They ca...

Multiscale modeling of biological functions: from enzymes to molecular machines (Nobel Lecture).

A detailed understanding of the action of biological molecules is a pre-requisite for rational advances in health sciences and related fields. Here, the challenge is to move from available structural information to a clear understanding of the underlying function of the system. In light of the complexity of macromolecular complexes, it is essential to use computer simulations to describe how th...

Multiscale modeling of emergent materials: biological and soft matter.

In this review, we focus on four current related issues in multiscale modeling of soft and biological matter. First, we discuss how to use structural information from detailed models (or experiments) to construct coarse-grained ones in a hierarchical and systematic way. This is discussed in the context of the so-called Henderson theorem and the inverse Monte Carlo method of Lyubartsev and Laaks...

Multiscale modeling