As numerical tools (computers and display equipment) become more powerful and the atomic structures of important biological molecules become known, the importance of detailed computation of nonequilibrium biomolecular dynamics increases. In this note we briefly report results from a well developed study of the hydrogen bonded polypeptide crystal acetanilide, a model protein. Extensions to other areas of molecular dynamics are also surveyed. © 1988.
|Number of pages||3|
|Journal||Journal of Computational and Applied Mathematics|
|Publication status||Published - Jun 1988|