Normal modes for large molecules with arbitrary link constraints in the mobile block Hessian approach

Journal of Chemical Physics

Volumn 130, Issue 8, 2009, Pages

  Ghysels, A ^a   Van Neck, D ^a   Brooks, B R ^b   Van Speybroeck, V ^a   Waroquier, M ^a  

^a GHENT UNIVERSITY   (Belgium)

^b NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; MECHANICS; SUPRAMOLECULAR CHEMISTRY;

COMPUTATIONAL COSTS; CONSTRAINT METHODS; EXTENDED VERSIONS; HARMONIC COUPLINGS; HELIX CONFORMATIONS; MOLECULAR SYSTEMS; NORMAL MODES; NUMBER OF DEGREES OF FREEDOMS; RELATIVE MOTIONS; RIGID BODIES; STRUCTURAL FLEXIBILITIES; VIBRATIONAL MODES;

RATE CONSTANTS;

BIOPOLYMER; POLYMER; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; VIBRATION;

BIOPOLYMERS; MODELS, MOLECULAR; POLYMERS; PROTEINS; VIBRATION;

EID: 61449148649     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3071261     Document Type: Article

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