NEW CONFORMATIONAL SEARCH METHOD BASED ON LOCAL TORSIONAL DEFORMATIONS FOR CYCLIC MOLECULES, LOOPS IN PROTEINS, AND DENSE POLYMER SYSTEMS

摘要

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. (C) 1996 American Institute of Physics. [References: 44]