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Multicanonical approach in statistical mechanics of peptides

Abstract

We test the performance of the multicanonical approach for biological molecules. The simulated molecules are frustrated systems with a complicated energy landscape. The resulting slowing down in simulations is alleviated by our ansatz. We perform a multicanonical simulation of nonpolar amino acids and study their {alpha}-helix propensities. The results are shown to be in agreement with recent experimental results. ((orig.)).
Authors:
Hansmann, U H.E.; [1]  Okamoto, Y [2] 
  1. Konrad-Zuse-Zentrum fuer Informationstechnik Berlin (ZIB) (Germany)
  2. Department of Physics, Nara Women`s University, Nara 630 (Japan)
Publication Date:
Apr 01, 1995
Product Type:
Journal Article
Report Number:
CONF-9409269-
Reference Number:
SCA: 661300; PA: AIX-26:064277; EDB-95:132274; SN: 95001458317
Resource Relation:
Journal Name: Nuclear Physics B, Proceedings Supplements; Journal Volume: 42; Conference: Lattice `94, Bielefeld (Germany), 25 Sep - 1 Oct 1994; Other Information: PBD: Apr 1995
Subject:
66 PHYSICS; MOLECULAR STRUCTURE; STATISTICAL MECHANICS; PEPTIDES; AMINO ACIDS; COMPUTERIZED SIMULATION; ENTHALPY; ENTROPY; FREE ENERGY; MOLECULES; SLOWING-DOWN; TEMPERATURE DEPENDENCE; TEMPERATURE RANGE 0065-0273 K; TEMPERATURE RANGE 0273-0400 K
OSTI ID:
101014
Country of Origin:
Netherlands
Language:
English
Other Identifying Numbers:
Journal ID: NPBSE7; ISSN 0920-5632; TRN: NL95FF360064277
Submitting Site:
NLN
Size:
pp. 914-916
Announcement Date:
Oct 05, 1995

Citation Formats

Hansmann, U H.E., and Okamoto, Y. Multicanonical approach in statistical mechanics of peptides. Netherlands: N. p., 1995. Web. doi:10.1016/0920-5632(95)00420-E.
Hansmann, U H.E., & Okamoto, Y. Multicanonical approach in statistical mechanics of peptides. Netherlands. doi:10.1016/0920-5632(95)00420-E.
Hansmann, U H.E., and Okamoto, Y. 1995. "Multicanonical approach in statistical mechanics of peptides." Netherlands. doi:10.1016/0920-5632(95)00420-E. https://www.osti.gov/servlets/purl/10.1016/0920-5632(95)00420-E.
@misc{etde_101014,
title = {Multicanonical approach in statistical mechanics of peptides}
author = {Hansmann, U H.E., and Okamoto, Y}
abstractNote = {We test the performance of the multicanonical approach for biological molecules. The simulated molecules are frustrated systems with a complicated energy landscape. The resulting slowing down in simulations is alleviated by our ansatz. We perform a multicanonical simulation of nonpolar amino acids and study their {alpha}-helix propensities. The results are shown to be in agreement with recent experimental results. ((orig.)).}
doi = {10.1016/0920-5632(95)00420-E}
journal = {Nuclear Physics B, Proceedings Supplements}
volume = {42}
journal type = {AC}
place = {Netherlands}
year = {1995}
month = {Apr}
}