Title: THE GENERALIZED-ENSEMBLE APPROACH FOR PROTEIN FOLDING SIMULATIONS
Abstract: Annual Reviews of Computational PhysicsAnnual Reviews of Computational Physics VI, pp. 129-157 (1999) No AccessTHE GENERALIZED-ENSEMBLE APPROACH FOR PROTEIN FOLDING SIMULATIONSULRICH H. E. HANSMANN and YUKO OKAMOTOULRICH H. E. HANSMANNDepartment of Physics, Michigan Technological University, Houghton, MI 49931-1295, USA and YUKO OKAMOTODepartment of Theoretical Studies, Institute for Molecular Studies, Okazaki, Aichi 444-8585, Japanhttps://doi.org/10.1142/9789812815569_0004Cited by:75 PreviousNext AboutSectionsPDF/EPUB ToolsAdd to favoritesDownload CitationsTrack CitationsRecommend to Library ShareShare onFacebookTwitterLinked InRedditEmail Abstract: The generalized-ensemble approach for simulations of peptides and proteins is reviewed. The simulated molecules are frustrated systems with a complicated energy landscape. It is shown that the resulting slowing down in numerical simulations is alleviated by our ansatz. We present some recent results from generalized-ensemble simulations in the protein folding problem and compare them with those by other methods, and with experiments. 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Berg and Hagai Meirovitch1 January 2000 | Journal of Computational Chemistry, Vol. 21, No. 14Multicanonical Monte Carlo calculation of the free-energy map of the base-amino acid interactionKenji Sayano, Hidetoshi Kono, M. Michael Gromiha and Akinori Sarai1 January 2000 | Journal of Computational Chemistry, Vol. 21, No. 11First-Principles Protein Folding SimulationsYuko Okamoto23 September 2006 | Molecular Simulation, Vol. 24, No. 4-6Protein Folding Simulations by Monte Carlo Simulated Annealing and Multicanonical AlgorithmYuko Okamoto1 Jan 2000Thermodynamics of Protein Folding — The Generalized-Ensemble ApproachUlrich H. E. Hansmann1 Jan 2000Rugged Free-Energy Landscapes – An IntroductionWolfhard JankeAll-Atom Simulations of ProteinsUlrich H. E. HansmannMarkov Chain Monte Carlo Methods for Simulations of BiomoleculesBernd A. BergGeneralized-Ensemble Algorithms for Protein Folding SimulationsYuji Sugita, Ayori Mitsutake and Yuko Okamoto Annual Reviews of Computational Physics VIMetrics History PDF download
Publication Year: 1999
Publication Date: 1999-03-01
Language: en
Type: book-chapter
Indexed In: ['crossref']
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Cited By Count: 95
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