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Multiple helical conformations of the helix-turn-helix region revealed by NOE-restrained MD simulations of tryptophan aporepressor, TrpR

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.25252 ◽

2017 ◽

Vol 85 (4) ◽

pp. 731-740

Author(s):

Balasubramanian Harish ◽

G.V.T. Swapna ◽

Gregory J. Kornhaber ◽

Gaetano T. Montelione ◽

Jannette Carey

Keyword(s):

Md Simulations ◽

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Long-Time Scale Fluctuations of Human Prion Protein Determined by Restrained MD Simulations

Biochemistry ◽

10.1021/bi2012756 ◽

2011 ◽

Vol 50 (47) ◽

pp. 10192-10194 ◽

Author(s):

Massih Khorvash ◽

Guillaume Lamour ◽

Jörg Gsponer

Keyword(s):

Prion Protein ◽

Md Simulations ◽

Long Time ◽

Human Prion Protein ◽

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Modeling Transmembrane Helix Bundles by Restrained MD Simulations

Protein Structure Prediction ◽

10.1385/1-59259-368-2:325 ◽

2003 ◽

pp. 325-347

Author(s):

Mark S. P. Sansom ◽

Leo Davison

Keyword(s):

Transmembrane Helix ◽

Md Simulations ◽

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Determination of conformation and relative configuration of a small, rapidly tumbling molecule in solution by combined application of NOESY and restrained MD calculations

Journal of the American Chemical Society ◽

10.1021/ja00035a018 ◽

1992 ◽

Vol 114 (9) ◽

pp. 3272-3277 ◽

Author(s):

Michael Reggelin ◽

Holger Hoffmann ◽

Matthias Koeck ◽

Dale F. Mierke

Keyword(s):

Relative Configuration ◽

Combined Application ◽

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