Chain Closure: A Problem in Molecular CAD

Conformational analysis is the problem of nding all minimal energy three-dimensional congurations of molecules. Cyclic structures are of particular interest. An ecient algorithm based on a purely geometric approach that generates feasible congurations very eciently is presented thus making full conformational analysis possible even for fairly large cyclic structures.

• Type: Conference
• Year: 1994
• Where: DAC
• Authors: Maria Domenica Di Benedetto, Pasquale Lucibello, Alberto L. Sangiovanni-Vincentelli, K. Yamaguchi
• Keywords: Computer Architecture, Conformational Analysis, Cyclic Structures, DAC 1994, Large Cyclic Structures