Modeling helical proteins using residual dipolar couplings, sparse long-range distance constraints and a simple residue-based force field.

Eggimann, Becky L; Vostrikov, Vitaly V; Veglia, Gianluigi; Siepmann, J Ilja.

Afiliação

Eggimann BL; Department of Chemistry, Chemical Theory Center, University of Minnesota, 207 Pleasant St. SE, Minneapolis, MN 55455, USA.
Vostrikov VV; Molecular Biology and Biophysics, University of Minnesota, 321 Church St. SE, Minneapolis, MN 55455, USA.
Veglia G; Department of Chemistry, Chemical Theory Center, University of Minnesota, 207 Pleasant St. SE, Minneapolis, MN 55455, USA.
Siepmann JI; Department of Chemistry, Chemical Theory Center, University of Minnesota, 207 Pleasant St. SE, Minneapolis, MN 55455, USA.

Theor Chem Acc ; 132(10): 1388, 2013 Oct 01.

Article em En | MEDLINE | ID: mdl-24639619