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829 related items for PubMed ID: 19067549
1. Replica exchange molecular dynamics simulations of coarse-grained proteins in implicit solvent. Chebaro Y, Dong X, Laghaei R, Derreumaux P, Mousseau N. J Phys Chem B; 2009 Jan 08; 113(1):267-74. PubMed ID: 19067549 [Abstract] [Full Text] [Related]
4. Convergence and sampling efficiency in replica exchange simulations of peptide folding in explicit solvent. Periole X, Mark AE. J Chem Phys; 2007 Jan 07; 126(1):014903. PubMed ID: 17212515 [Abstract] [Full Text] [Related]
5. Structure and energy landscape of a photoswitchable peptide: a replica exchange molecular dynamics study. Nguyen PH, Mu Y, Stock G. Proteins; 2005 Aug 15; 60(3):485-94. PubMed ID: 15977160 [Abstract] [Full Text] [Related]
6. Free energy landscape of protein folding in water: explicit vs. implicit solvent. Zhou R. Proteins; 2003 Nov 01; 53(2):148-61. PubMed ID: 14517967 [Abstract] [Full Text] [Related]
8. Structural and thermodynamics characters of isolated α-syn12 peptide: long-time temperature replica-exchange molecular dynamics in aqueous solution. Cao Z, Liu L, Wu P, Wang J. Acta Biochim Biophys Sin (Shanghai); 2011 Mar 01; 43(3):172-80. PubMed ID: 21289072 [Abstract] [Full Text] [Related]
10. Direct folding simulation of alpha-helices and beta-hairpins based on a single all-atom force field with an implicit solvation model. Jang S, Kim E, Pak Y. Proteins; 2007 Jan 01; 66(1):53-60. PubMed ID: 17063490 [Abstract] [Full Text] [Related]
11. A molecular dynamics study of the correlations between solvent-accessible surface, molecular volume, and folding state. Floriano WB, Domont GB, Nascimento MA. J Phys Chem B; 2007 Feb 22; 111(7):1893-9. PubMed ID: 17261064 [Abstract] [Full Text] [Related]
13. Reproducible polypeptide folding and structure prediction using molecular dynamics simulations. Seibert MM, Patriksson A, Hess B, van der Spoel D. J Mol Biol; 2005 Nov 18; 354(1):173-83. PubMed ID: 16236315 [Abstract] [Full Text] [Related]
17. Folding simulations of Trp-cage mini protein in explicit solvent using biasing potential replica-exchange molecular dynamics simulations. Kannan S, Zacharias M. Proteins; 2009 Aug 01; 76(2):448-60. PubMed ID: 19173315 [Abstract] [Full Text] [Related]
18. Exploring the protein folding free energy landscape: coupling replica exchange method with P3ME/RESPA algorithm. Zhou R. J Mol Graph Model; 2004 May 01; 22(5):451-63. PubMed ID: 15099840 [Abstract] [Full Text] [Related]