Reversible scaling of dihedral angle barriers during molecular dynamics to improve structure prediction of cyclic peptides

Journal of Peptide Research

Volumn 63, Issue 4, 2004, Pages 354-364

  Riemann, R N ^a,b   Zacharias, M ^a  

^a JACOBS UNIVERSITY BREMEN   (Germany)

^b FRITZ LIPMANN INSTITUTE   (Germany)

Author keywords

Conformational search; Drug design; Generalized Born model; Molecular modeling; Molecular simulation; Peptide design

Indexed keywords

PEPTIDE DERIVATIVE;

ARTICLE; CONFORMATIONAL TRANSITION; CYCLIZATION; ENERGY; ENERGY BALANCE; EXPERIMENTAL DESIGN; EXPERIMENTAL TEST; HYDRODYNAMICS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PHASE SEPARATION; PREDICTION; PRIORITY JOURNAL; PROTEIN TARGETING; REDUCTION KINETICS; SIMULATION; STANDARD; STRUCTURE ANALYSIS; TECHNIQUE;

AMINO ACID SEQUENCE; COMPUTER SIMULATION; MODELS, CHEMICAL; MOLECULAR CONFORMATION; PEPTIDES, CYCLIC; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 2442515423     PISSN: 1397002X     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1399-3011.2004.00110.x     Document Type: Article

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