Adaptive anisotropic kernels for nonparametric estimation of absolute configurational entropies in high-dimensional configuration spaces

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 80, Issue 1, 2009, Pages

  Hensen, Ulf ^a   Grubmüller, Helmut ^a   Lange, Oliver F ^b  

^a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

^b UNIVERSITY OF WASHINGTON SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPIC KERNEL; ATOMISTIC SIMULATIONS; COLD-SHOCK; CONFIGURATION SPACE; CONFIGURATIONAL ENTROPY; GAUSSIAN FUNCTIONS; HIGH-DIMENSIONAL; NON-PARAMETRIC ESTIMATIONS; NONPARAMETRIC DENSITY ESTIMATION;

ANISOTROPY; ENTROPY; MACROMOLECULES; MAXIMUM LIKELIHOOD ESTIMATION; SUPRAMOLECULAR CHEMISTRY; WAVE FUNCTIONS;

PRINCIPAL COMPONENT ANALYSIS;

EID: 68949141761     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.80.011913     Document Type: Article

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