000054183 001__ 54183 000054183 005__ 20200423204407.0 000054183 017__ $$aThis version is available at the following Publisher URL: http://www.biophysj.org/ 000054183 0247_ $$2pmid$$apmid:16950845 000054183 0247_ $$2pmc$$apmc:PMC1630465 000054183 0247_ $$2DOI$$a10.1529/biophysj.106.087668 000054183 0247_ $$2WOS$$aWOS:000241702500003 000054183 0247_ $$2Handle$$a2128/2373 000054183 037__ $$aPreJuSER-54183 000054183 041__ $$aeng 000054183 082__ $$a570 000054183 084__ $$2WoS$$aBiophysics 000054183 1001_ $$0P:(DE-Juel1)132590$$aMohanty, S.$$b0$$uFZJ 000054183 245__ $$aFolding of proteins with diverse folds 000054183 260__ $$aNew York, NY$$bRockefeller Univ. Press$$c2006 000054183 300__ $$a3537 000054183 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article 000054183 3367_ $$2DataCite$$aOutput Types/Journal article 000054183 3367_ $$00$$2EndNote$$aJournal Article 000054183 3367_ $$2BibTeX$$aARTICLE 000054183 3367_ $$2ORCID$$aJOURNAL_ARTICLE 000054183 3367_ $$2DRIVER$$aarticle 000054183 440_0 $$0882$$aBiophysical Journal$$v92$$x0006-3495 000054183 500__ $$aRecord converted from VDB: 12.11.2012 000054183 520__ $$aUsing parallel tempering simulations with high statistics, we investigate the folding and thermodynamic properties of three small proteins with distinct native folds: the all-helical 1RIJ, the all-sheet beta3s, and BBA5, which has a mixed helix-sheet fold. In all three cases, simulations with our energy function find the native structures as global minima in free energy at experimentally relevant temperatures. However, the folding process strongly differs for the three molecules, indicating that the folding mechanism is correlated with the form of the native structure. 000054183 536__ $$0G:(DE-Juel1)FUEK411$$2G:(DE-HGF)$$aScientific Computing$$cP41$$x0 000054183 588__ $$aDataset connected to Web of Science, Pubmed 000054183 650_2 $$2MeSH$$aComputer Simulation 000054183 650_2 $$2MeSH$$aModels, Chemical 000054183 650_2 $$2MeSH$$aModels, Molecular 000054183 650_2 $$2MeSH$$aModels, Statistical 000054183 650_2 $$2MeSH$$aProtein Conformation 000054183 650_2 $$2MeSH$$aProtein Folding 000054183 650_2 $$2MeSH$$aProteins: chemistry 000054183 650_2 $$2MeSH$$aProteins: ultrastructure 000054183 650_7 $$00$$2NLM Chemicals$$aProteins 000054183 650_7 $$2WoSType$$aJ 000054183 7001_ $$0P:(DE-Juel1)VDB46160$$aHansmann, U. H. E.$$b1$$uFZJ 000054183 773__ $$0PERI:(DE-600)1477214-0$$a10.1529/biophysj.106.087668$$gVol. 91, p. 3537$$p3537$$q91<3537$$tBiophysical journal$$v91$$x0006-3495$$y2006 000054183 8567_ $$2Pubmed Central$$uhttp://www.ncbi.nlm.nih.gov/pmc/articles/PMC1630465 000054183 8564_ $$uhttps://juser.fz-juelich.de/record/54183/files/84949.pdf$$yOpenAccess 000054183 8564_ $$uhttps://juser.fz-juelich.de/record/54183/files/84949.jpg?subformat=icon-1440$$xicon-1440$$yOpenAccess 000054183 8564_ $$uhttps://juser.fz-juelich.de/record/54183/files/84949.jpg?subformat=icon-180$$xicon-180$$yOpenAccess 000054183 8564_ $$uhttps://juser.fz-juelich.de/record/54183/files/84949.jpg?subformat=icon-640$$xicon-640$$yOpenAccess 000054183 909CO $$ooai:juser.fz-juelich.de:54183$$pdnbdelivery$$pVDB$$pdriver$$popen_access$$popenaire 000054183 9131_ $$0G:(DE-Juel1)FUEK411$$bSchlüsseltechnologien$$kP41$$lSupercomputing$$vScientific Computing$$x0 000054183 9141_ $$y2006 000054183 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed 000054183 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess 000054183 9201_ $$0I:(DE-Juel1)NIC-20090406$$gNIC$$kNIC$$lJohn von Neumann - Institut für Computing$$x0 000054183 970__ $$aVDB:(DE-Juel1)84949 000054183 980__ $$aVDB 000054183 980__ $$aJUWEL 000054183 980__ $$aConvertedRecord 000054183 980__ $$ajournal 000054183 980__ $$aI:(DE-Juel1)NIC-20090406 000054183 980__ $$aUNRESTRICTED 000054183 980__ $$aFullTexts 000054183 9801_ $$aFullTexts