화학공학소재연구정보센터
Journal of Chemical Physics, Vol.105, No.17, 7868-7871, 1996
New Conformational Search Method Based on Local Torsional Deformations for Cyclic Molecules, Loops in Proteins, and Dense Polymer Systems
We propose a conformational search method, based on local torsional deformations (LTD) for locating the low energy structures of cyclic peptides, loops in proteins or dense polymer systems. LTD is applied preliminarily to cycloundecane modeled by the MM2 force field, and is found to be more efficient than other techniques.