Journal of Chemical Physics, Vol.110, No.2, 1267-1276, 1999
Finite-size scaling of helix-coil transitions in poly-alanine studied by multicanonical simulations
We report results from multicanonical simulations of poly-alanine. Homopolymers of up to 30 amino acids were considered and various thermodynamic quantities as a function of temperature calculated. We study the nature of the observed helix-coil transition and present estimates for critical exponents.
Keywords:HYDROGEN-BOND INTERACTIONS;OCCURRING AMINO-ACIDS;NONBONDEDINTERACTIONS;PHASE-TRANSITIONS;ENERGY PARAMETERS;RIBONUCLEASE-A;ALPHA-HELICES;PEPTIDE;THERMODYNAMICS;ALGORITHMS