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Anders Irbäck. Photo.

Anders Irbäck

Professor

Anders Irbäck. Photo.

Monte Carlo procedure for protein design

Author

  • Anders Irbäck
  • Carsten Peterson
  • Frank Potthast
  • Erik Sandelin

Summary, in English

A method for sequence optimization in protein models is presented. The approach, which has inherited its basic philosophy from recent work by Deutsch and Kurosky [Phys. Rev. Lett. 76, 323 (1996)] by maximizing conditional probabilities rather than minimizing energy functions, is based upon a different and very efficient multisequence Monte Carlo scheme. By construction, the method ensures that the designed sequences represent good folders thermodynamically. A bootstrap procedure for the sequence space search is devised making very large chains feasible. The algorithm is successfully explored on the two-dimensional HP model [K. F. Lau and K. A. Dill, Macromolecules 32, 3986 (1989)] with chain lengths N= 16, 18, and 32.

Department/s

  • Computational Biology and Biological Physics

Publishing year

1998

Language

English

Publication/Series

Physical Review E

Volume

58

Issue

5

Document type

Journal article

Publisher

American Physical Society

Status

Published

ISBN/ISSN/Other

  • ISSN: 1063-651X