Molecular dynamics simulations

eagle-i ID

Resource Type

Properties

1. Resource Description

   Molecular dynamics simulations have become one of the essential tools for the investigation of biological macromolecules and also for the process of computer aided drug design. It provides time dependent behavior of a molecular system and in turn offers molecular level insight into structure and function of biological molecules. This technique is routinely used for the study of complex dynamic process that occurs in biological systems such as conformational changes, protein folding, molecular recognition and protein-drug interactions, and provide the means to carry out drug design.

2. Contact

   Mottamal, Madhu, Ph.D.

3. Related Resource

   NAMD Molecular Dynamics Software

4. Related Resource

   CHARMM

5. Related Resource

   AMBER

6. Service Provided by

   RCMI Molecular Structure and Modeling Core

7. Website(s)

   http://ambermd.org/

8. Website(s)

   http://www.charmm.org/

9. Website(s)

   http://www.ks.uiuc.edu/Research/namd/