engleski

Specific Interactions between Sense and Complementary Peptides : What Can Molecular Dynamics Tell Us?

Almost 40 years ago, it was suggested that sense and complementary (or anti-sense) peptides might be able interact on the basis of the specific recognition of complementary amino acid pairs. Since that time, the possible far-reaching ramifications of these interactions, including the provision of a basis for the proteomic code, have been investigated on a number of fronts. Despite the large body of evidence suggesting that the sense/anti-sense interactions play an important role in an extraordinarily diverse number of biological processes, the interactions themselves are still poorly understood at a fundamental level. In this contribution, we investigate an example pair of sense/anti-sense peptides using replica exchange molecular dynamics simulations. The results of these simulations provide a solid basis from which to investigate the aforementioned effects. In particular, it is shown that a computational approach has significant potential in terms of guiding further experimental studies.

molecular dynamics; complementary peptides

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