Computational Biophysics Section Overview

The research staff of the Computational Biophysics Section (CBS) studies modern problems in Biology and Chemistry by developing, executing, and evaluating the results of computer simulations. This process helps scientists understand a variety of important issues such as how the HIV virus binds to a cell in order to infect it or how a particular drug will affect the human body. The long term goal of the research is to be able to use computers as an equal partner with experiments to facilitate the development and design of therapies, drugs, and treatments for a variety of human pathologies.

To achieve this goal, researchers in the CBS study several different biomolecular systems using a variety of different approaches and actively work on developing and testing new simulation methods. We use both classical and quantum mechanical analysis in our simulations. Recent advances in these techniques now allow the study of the energetic details of protein mechanisms. Our scientists have applied these advances to examine the molecular basis of the reactivity of several enzyme systems. Among our specific areas of research are:

As a necessary part of the CBS's research, we have developed extensive competency with scientific supercomputing. The parent organization of the CBS, the Laboratory of Computational Biology, maintains the LoBoS computer cluster, which CBS researchers utilize. We also have available the NIH Helix systems and the Biowulf cluster. Many CBS scientists actively develop the molecular modeling software that is used by the CBS and at other labs. For example, CBS researchers conduct much of the development of the CHARMM software.

The CBS is led by Dr. Bernard Brooks, who is also the chief of the section's parent organization, the Laboratory of Computational Biology (LCB). The LCB is part of Biochemistry and Biophysics Center of the Division of Intramural Research in the National Heart, Lung, and Blood Institute in the National Institutes of Health.

An image of an E2CD protein, studied by CBS staff scientist Dr. Xiongwu Wu.

  Department of Health and Human Services     National Institutes of Health     National Heart, Lung, and Blood Institute