ISSN:
0006-3525
Schlagwort(e):
Chemistry
;
Polymer and Materials Science
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
A method for the conformational analysis of a polypeptide, using buildup and energy-minimization procedures, is presented. It has been tested by computing the conformation of the backbone of Met-enkephalin, a pentapeptide, and comparing the results with those obtained by a Monte Carlo procedure. The agreement between the results of the two different methods indicates that the multiple-minima problem has been overcome for the enkephalin molecule (with fixed side-chain conformations). The buildup procedure uses objective criteria, which should be applicable to the conformational analysis of polypeptides much larger than enkephalin. With anticipated advances in supercomputers, the methodology should be applicable to proteins.
Zusätzliches Material:
6 Tab.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/bip.360240803