A dynamic data structure for flexible molecular maintenance and informatics

Proceedings - SPM 2009: SIAM/ACM Joint Conference on Geometric and Physical Modeling

Volumn , Issue , 2009, Pages 259-270

  Bajaj, Chandrajit ^a   Chowdhury, Rezaul Alam ^a   Rasheed, Muhibur ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

Computer aided design; De novo drug design; Interactive software; Molecular docking; Protein folding; Shape modeling

Indexed keywords

BINDING AFFINITIES; CONTACT SURFACE; DE NOVO DRUG DESIGN; DRUG DESIGN; DYNAMIC DATA STRUCTURE; FAST ESTIMATION; FLEXIBLE MOLECULAR MODEL; FLEXIBLE MOLECULES; INFORMATICS; INTERACTIVE SOFTWARE; MOLECULAR DOCKING; MOLECULAR DYNAMICS CALCULATION; MOLECULAR PROPERTIES; MOLECULAR SURFACES; POLARIZATION ENERGY; SHAPE MODELING; SURFACE AREA; TIME BOUND; VAN DER WAALS; W-BIT WORDS;

ATOMS; BINDING ENERGY; COMPUTER AIDED DESIGN; COMPUTER SOFTWARE; COMPUTER SOFTWARE MAINTENANCE; DATA STRUCTURES; DOCKING; DYNAMICS; MODELS; MOLECULAR DYNAMICS; MOLECULAR MODELING; MOLECULES; PROTEIN FOLDING; SURFACE STRUCTURE; VAN DER WAALS FORCES;

SURFACE PROPERTIES;

EID: 70350623065     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1145/1629255.1629287     Document Type: Conference Paper

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