Accession Number : ADA335815

Title :   Optimization of Molecular Structures

Descriptive Note : Final rept. 01 Dec 93-30 Nov 96

Corporate Author : CALIFORNIA UNIV BERKELEY LAWRENCE BERKELEY LAB

Personal Author(s) : Head-Gordon, Teresa L.

PDF Url : ADA335815

Report Date : 07 MAY 1997

Pagination or Media Count : 4

Abstract : There has been improvement in robust prediction of secondary structure of real proteins. New models of aqueous solvation have been used to predict energy surface descriptions for protein structure.

Descriptors :   *OPTIMIZATION, *PROTEINS, *MOLECULAR STRUCTURE, MODELS, WATER, ENERGY, SURFACES, SOLVATION, AMINO ACIDS, AQUEOUS SOLUTIONS.

Subject Categories : Biochemistry
      Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE