Perturbational formulation of principal component analysis in molecular dynamics simulation

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

Volumn 78, Issue 4, 2008, Pages

  Koyama, Yohei M ^a,b   Kobayashi, Tetsuya J ^a,c   Tomoda, Shuji ^b   Ueda, Hiroki R ^a,d  

^a RIKEN Center for Biosystems Dynamics Research   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

^c INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

^d OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; DISTRIBUTION FUNCTIONS; DYNAMICS; EIGENVALUES AND EIGENFUNCTIONS; MOLECULAR DYNAMICS; MOLECULES; NANOFLUIDICS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; PROBABILITY DISTRIBUTIONS; QUANTUM CHEMISTRY; RADAR ANTENNAS; RISK ASSESSMENT;

ABSOLUTE VALUES; ALANINE DIPEPTIDE MOLECULES; ATOMIC DISTANCES; CARTESIAN COORDINATES; CONFORMATIONAL CHANGES; CONFORMATIONAL DISTRIBUTIONS; CONFORMATIONAL FLUCTUATIONS; DECOMPOSING; DIHEDRAL ANGLES; EIGENVALUE; EIGENVECTORS; ELECTROSTATIC INTERACTIONS; ENVIRONMENTAL PERTURBATIONS; EXTERNAL-; IN VACUUMS; INTERNAL COORDINATES; INTRINSIC FLUCTUATIONS; KULLBACK-LEIBLER DIVERGENCES; MINIMAL MODELS; MOLECULAR DYNAMICS SIMULATIONS; NEGATIVE COMPONENTS; PERTURBATION FUNCTIONS; PHYSICAL MEANINGS; PRINCIPAL COMPONENTS; SECOND ORDERS; STABLE STATES; TRANSITION STATES;

PRINCIPAL COMPONENT ANALYSIS;

EID: 54149088860     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.78.046702     Document Type: Article

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