Dominant folding pathways of a peptide chain from ab initio quantum-mechanical simulations

Journal of Chemical Physics

Volumn 134, Issue 2, 2011, Pages

  Beccara, Silvio A ^a,b   Faccioli, Pietro ^a,b   Sega, Marcello ^a,b   Pederiva, Francesco ^a,b   Garberoglio, Giovanni ^a   Orland, Henri ^c  

^a UNIVERSITY OF TRENTO   (Italy)

^b INFN TIFPA   (Italy)

^c CEA SACLAY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO SIMULATIONS; CONFORMATIONAL TRANSITIONS; FOLDING PATHWAY; MOLECULAR FORCE FIELD; NON-EQUILIBRIUM DYNAMICS; OUT-OF-EQUILIBRIUM DYNAMICS; PEPTIDE CHAIN; QUANTUM-MECHANICAL SIMULATION; REACTION PATHWAYS; STANDARD FORCE FIELD;

ELECTRONIC STRUCTURE; PEPTIDES;

DYNAMICS;

PEPTIDE;

ARTICLE; CHEMISTRY; PROTEIN CONFORMATION; QUANTUM THEORY;

PEPTIDES; PROTEIN CONFORMATION; QUANTUM THEORY;

EID: 78751506603     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3514149     Document Type: Article

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