Nonlinear dimensionality reduction in molecular simulation: The diffusion map approach

Chemical Physics Letters

Volumn 509, Issue 1-3, 2011, Pages 1-11

  Ferguson, Andrew L ^a,c   Panagiotopoulos, Athanassios Z ^a   Kevrekidis, Ioannis G ^a,b   Debenedetti, Pablo G ^a  

^a Princeton University   (United States)

^b PRINCETON UNIVERSITY   (United States)

^c Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIMICROBIAL PEPTIDE; ATOMIC-LEVEL RESOLUTION; COMPLEX SYSTEMS; DEGREES OF FREEDOM; DRUG DESIGN; FOLDING PATHWAY; HIGH-DIMENSIONAL; HYDROPHOBIC COLLAPSE; IN-FIELD; MAP APPROACH; MOLECULAR SIMULATIONS; N-ALKANE CHAINS; NON-TRIVIAL; NONLINEAR DIMENSIONALITY REDUCTION; UNDERLYING DYNAMICS;

NONLINEAR ANALYSIS; PARAFFINS; PROTEIN FOLDING; THERMODYNAMICS;

MOLECULAR STRUCTURE;

EID: 79957744623     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.04.066     Document Type: Article

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