Structural changes of a single polymer chain via multicanonical molecular dynamics simulation

Details Structural changes of a single polymer chain via multicanonical molecular dynamics simulation Structural changes of a single polymer chain via multicanonical molecular dynamics simulation

Jun 2000

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2000aipc..519..307u&link_type=abstract

STATISTICAL PHYSICS: Third Tohwa University International Conference. AIP Conference Proceedings, Volume 519, pp. 307-313 (2000

Physics

Solid-Solid Transitions, Molecular Dynamics And Particle Methods

Scientific paper

Structural changes and folding properties of 2- and 3-dimensional di-block polyampholytes are investigated via multicanonical molecular dynamics simulations. The restricted free energy of the 2-dimensional system clearly shows double well structure at intermediate temperature region, which is indicative of the structural transition between extended and compact structures. In the 3-dimensional system, only single well structure in the restricted free energy is observed. .

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