Structure and dynamics of the homologous series of alanine peptides: a joint molecular dynamics/NMR study
…, PH Nguyen, G Stock, H Schwalbe
Index: Graf, Juergen; Nguyen, Phuong H.; Stock, Gerhard; Schwalbe, Harald Journal of the American Chemical Society, 2007 , vol. 129, # 5 p. 1179 - 1189
Full Text: HTML
Citation Number: 217
Abstract
The ϕ, ψ backbone angle distribution of small homopolymeric model peptides is investigated by a joint molecular dynamics (MD) simulation and heteronuclear NMR study. Combining the accuracy of the measured scalar coupling constants and the atomistic detail of the all-atom MD simulations with explicit solvent, the thermal populations of the peptide conformational states are determined with an uncertainty of< 5%. Trialanine samples ...
Related Articles:
[Kino, Kuniki; Arai, Toshinobu; Tateiwa, Daisuke Bioscience, Biotechnology and Biochemistry, 2010 , vol. 74, # 1 p. 129 - 134]
[Kino, Kuniki; Arai, Toshinobu; Tateiwa, Daisuke Bioscience, Biotechnology and Biochemistry, 2010 , vol. 74, # 1 p. 129 - 134]
[Kino, Kuniki; Arai, Toshinobu; Tateiwa, Daisuke Bioscience, Biotechnology and Biochemistry, 2010 , vol. 74, # 1 p. 129 - 134]
[Kino, Kuniki; Arai, Toshinobu; Tateiwa, Daisuke Bioscience, Biotechnology and Biochemistry, 2010 , vol. 74, # 1 p. 129 - 134]