Characterizing molecular interactions in chemical systems

IEEE Transactions on Visualization and Computer Graphics

Volumn 20, Issue 12, 2014, Pages 2476-2485

  Günther, David ^a   Boto, Roberto A ^b,c   Contreras Garcia, Julia ^c,d   Piquemal, Jean Philip ^c,d   Tierny, Julien ^c  

^a INSTITUT TELECOM   (France)

^b Université Pierre et Marie Curie Muséum national d'Histoire naturelle   (France)

^c SORBONNE UNIVERSITÉ   (France)

^d LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

Join tree; Molecular chemistry; Morse Smale complex; Topological data analysis

Indexed keywords

CARRIER CONCENTRATION; CHEMICAL ANALYSIS; CHEMICAL BONDS; CLASSIFICATION (OF INFORMATION); ELECTRON DENSITY MEASUREMENT; ELECTRONS; EXTRACTION; IONS; MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE; MOLECULES; PROTEINS; QUANTUM CHEMISTRY; TOPOLOGY; TREES (MATHEMATICS);

CHEMICAL INTERACTIONS; COMBINATORIAL ALGORITHM; COMPLEX MOLECULAR SYSTEMS; CONNECTIVITY INFORMATION; MOLECULAR CHEMISTRY; MORSE-SMALE COMPLEX; NON-COVALENT INTERACTION; TOPOLOGICAL DATA ANALYSIS;

DIMERS;

DNA; PROTEIN;

BIOLOGY; CHEMICAL STRUCTURE; COMPUTER GRAPHICS; CONFORMATION; PHYSICAL CHEMISTRY; PROTEIN SECONDARY STRUCTURE; ULTRASTRUCTURE;

COMPUTATIONAL BIOLOGY; COMPUTER GRAPHICS; DNA; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHYSICOCHEMICAL PROCESSES; PROTEIN STRUCTURE, SECONDARY; PROTEINS;

EID: 84910016129     PISSN: 10772626     EISSN: None     Source Type: Journal    
DOI: 10.1109/TVCG.2014.2346403     Document Type: Article

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