Solution conformations of the B-loop fragments of human transforming growth factor alpha and epidermal growth factor by super(1)H nuclear magnetic resonance and restrained molecular dynamics

Solution conformations of the B-loop fragments of human transforming growth factor alpha and epidermal growth factor by super(1)H nuclear magnetic resonance and restrained molecular dynamics

A restrained molecular dynamics simulation approach that explicitly includes the effect of the surrounding solvent molecules is applied to the NMR determination of the conformations of the B-loop fragments of human transforming growth factor alpha and epidermal growth factor. Backbone interproton di...

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Veröffentlicht in:Proceedings of the National Academy of Sciences - PNAS 1990-01, Vol.87 (7), p.2818-2822
Hauptverfasser: Han, Kyou-Hoon, Syi, Jia-Lin, Brooks, B R, Ferretti, JA
Format: Artikel
Sprache:eng
Schlagworte:
epidermal growth factor
man
N.M.R
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Zusammenfassung:A restrained molecular dynamics simulation approach that explicitly includes the effect of the surrounding solvent molecules is applied to the NMR determination of the conformations of the B-loop fragments of human transforming growth factor alpha and epidermal growth factor. Backbone interproton distance restraints are obtained by using two-dimensional rotating frame nuclear Overhauser effect spectroscopy (ROESY). The simulations are carried out both in "vacuum" and in "water."
ISSN:0027-8424