Application of nonlinear dimensionality reduction to characterize the confonrmational landscape of small peptides

Proteins: Structure, Function and Bioinformatics

Volumn 78, Issue 2, 2010, Pages 223-235

  Stamati, Hernán ^a   Clementi, Cecilia ^b,c   Kavraki, Lydia E ^a,c  

^a Rice University   (United States)

^b RICE UNIVERSITY   (United States)

^c BAYLOR COLLEGE OF MEDICINE   (United States)

Author keywords

Distance measures; Free energy landscapes; Isomap; Molecular dynamics simulations; Nonlinear dimensionality reduction; Reaction coordinates; Scimap

Indexed keywords

ALANINE; DIPEPTIDE; PEPTIDE DERIVATIVE; ALANYLALANINE; OLIGOPEPTIDE;

ALGORITHM; ARTICLE; BETA SHEET; ENERGY; MOLECULAR MODEL; NONLINEAR SYSTEM; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN STABILITY; SIMULATION; VALIDATION PROCESS; CHEMISTRY; COMPUTER SIMULATION; MOLECULAR DYNAMICS; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; DIPEPTIDES; MOLECULAR DYNAMICS SIMULATION; OLIGOPEPTIDES; PROTEIN CONFORMATION; PROTEIN FOLDING; THERMODYNAMICS;

EID: 77449099723     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22526     Document Type: Article

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