A presentation of theoretical methods and computational techniques in biomolecular research. It focuses on a variety of approaches for the treatment of macromolecules, including proteins, nucleic acids, and bilayer membranes.

Molecular machines are complex biomolecules, proteins, nucleic acids, and carbohydrates that consume energy in order to perform specific functions. The concerted action of all those machines underlies all the activities of the living cell. To understand how such molecular machines are able to perform their function, it is necessary to identify the different moving parts and understand how they act together. Breaking new ground with these difficult problems is likely to require novel paradigms permitting a seamless integration of structural, dynamical and functional data from experiments and...

The interface between a living cell and the surrounding world plays a critical role in numerous complex biological processes. Sperm/egg fusion, virus/cell fusion, exocytosis, endocytosis, and ion permeation are a few examples of processes involving membranes. In recent years, powerful tools such as X-ray crystal- lography, electron microscopy, nuclear magnetic resonance, and infra-red and Raman spectroscopy have been developed to characterize the structure and dy- namics of biomembranes. Despite this progress, many of the factors responsible for the function of biomembranes are still not well...