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000008935 1001_ $$0P:(DE-HGF)0$$aIrbäck, A.$$b0
000008935 245__ $$aAn effective all-­atom potential for proteins
000008935 260__ $$aBerlin$$bSpringer$$c2009
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000008935 520__ $$aWe describe and test an implicit solvent all-atom potential for simulations of protein folding and aggregation. The potential is developed through studies of structural and thermodynamic properties of 17 peptides with diverse secondary structure. Results obtained using the final form of the potential are presented for all these peptides. The same model, with unchanged parameters, is furthermore applied to a heterodimeric coiled-coil system, a mixed alpha/beta protein and a three-helix-bundle protein, with very good results. The computational efficiency of the potential makes it possible to investigate the free-energy landscape of these 49-67-residue systems with high statistical accuracy, using only modest computational resources by today's standards.PACS Codes: 87.14.E-, 87.15.A-, 87.15.Cc.
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000008935 7001_ $$0P:(DE-HGF)0$$aMitternacht, S.$$b1
000008935 7001_ $$0P:(DE-Juel1)132590$$aMohanty, S.$$b2$$uFZJ
000008935 773__ $$0PERI:(DE-600)2466652-X$$a10.1186/1757-5036-2-2$$gVol. 2, p. 2$$p2$$q2<2$$tPMC Biophysics$$v2$$x1757-5036$$y2009
000008935 8564_ $$uhttp://www.biomedcentral.com/2046-1682/2/2
000008935 8567_ $$2Pubmed Central$$uhttp://www.ncbi.nlm.nih.gov/pmc/articles/PMC2696411
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