J. Onuchic | Searcharxiv

arXiv1999

Order parametr for design of proteinlike heteropolymers

preprint withdrawn. A revised version of this paper, with different authors appears in E. Nelson, P. Wolynes, and J. Onuchic, in Optimization in computational chemistry and molecular biology, C. Floudas and P. Pardalos editors, (1999)). The main failing of my approach in these papers is the fact that the Hamiltonian and order parameters are based on pair distances only, and therefore do not break the local gauge (reflection) symmetry. Consequently, the order parameters cannot detect the difference between (for example) a partially compact topology and its mirror image. I take full responsibility for this problem, the withdrawal of this preprint, and the comments made above. Erik D. Nelson

physics.bio-ph↗

arXiv1998

The Folding Funnel Landscape of the Peptide Met-enkephalin

We study the free energy landscape of the small peptide Met-enkephalin. Our data were obtained from a generalized-ensemble Monte Carlo simulation taking the interactions among all atoms into account. We show that the free energy landscape resembles that of a funnel, indicating that this peptide is a good folder. Our work demonstrates that the energy landscape picture and folding concept, developed in the context of simplified protein models, can also be used to describe the folding in more realistic models.

cond-mat↗