Secondary structure of Ac-Alan-LysH+ polyalanine peptides (n = 5,10,15) in vacuo: Helical or not?

Journal of Physical Chemistry Letters

Volumn 1, Issue 24, 2010, Pages 3465-3470

  Rossi, Mariana ^a   Blum, Volker ^a   Kupser, Peter ^a   Von Helden, Gert ^a   Bierau, Frauke ^a   Pagel, Kevin ^b,c   Meijer, Gerard ^a   Scheffler, Matthias ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

^c UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; ANHARMONIC EFFECT; ENERGY CONFORMERS; FREE-ENERGY DIFFERENCE; GASPHASE; GENERALIZED GRADIENT APPROXIMATIONS; H-BOND NETWORK; HELICAL MOTIFS; POLYALANINE; POLYALANINE PEPTIDES; QUANTITATIVE COMPARISON; RELIABILITY FACTOR; ROOM TEMPERATURE; SECONDARY STRUCTURES; SOLUTION PHASE; STRUCTURE PREDICTION; VAN DER WAALS;

CRYSTALLOGRAPHY; MOLECULAR DYNAMICS; PEPTIDES; VAN DER WAALS FORCES; VIBRATIONAL SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY;

EID: 78650328037     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz101394u     Document Type: Article

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