Title :
Chain Closure: A Problem in Molecular CAD
Author :
Di Benedetto, M.D. ; Lucibello, P. ; Sangiovanni-Vincentelli, Alberto L. ; Yamaguchi, K.
Author_Institution :
Dipartimento di Informatica e Sistemistica, Universita di Roma "La Sapienza", Roma, Italy
Abstract :
Conformational analysis is the problem of finding all minimal energy three-dimensional configurations of molecules. Cyclic structures are of particular interest. An efficient algorithm based on a purely geometric approach that generates feasible configurations very efficiently is presented thus making full conformational analysis possible even for fairly large cyclic structures.
Keywords :
Algorithm design and analysis; Annealing; Chemicals; Drugs; Joining processes; Minimization methods; Process design; Stochastic processes; Testing; Very large scale integration;
Conference_Titel :
Design Automation, 1994. 31st Conference on
Print_ISBN :
0-89791-653-0
DOI :
10.1109/DAC.1994.204153
