Multi-Resolution approach for interactively locating functionally linked ion binding sites by steering small molecules into electrostatic potential maps using a haptic device

Pacific Symposium on Biocomputing 2010, PSB 2010

Volumn , Issue , 2010, Pages 205-215

  Delalande, Olivier ^a   Ferey, Nicolas ^a   Laurent, Benoist ^a   Gueroult, Marc ^a   Hartmann, Brigitte ^b   Baaden, Marc ^a  

^a CNRS   (France)

^b INSTITUT NATIONAL DE LA TRANSFUSION SANGUINE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CATION BINDING; CHARGED IONS; COARSE-GRAINED STRUCTURE; COMPUTATIONAL APPROACH; ELECTROSTATIC POTENTIAL MAPS; HAPTIC DEVICES; ION BINDING SITES; ION SELECTIVITY; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR PROBES; MULTI-RESOLUTION APPROACH; POTENTIAL BINDING SITES; POTENTIAL FIELD; PROBE MOLECULES; SECOND LEVEL; SMALL MOLECULES; TACTILE FEEDBACK; VAN DER WAALS INTERACTIONS;

ELECTROSTATICS; IONIC STRENGTH; METAL IONS; MOLECULAR DYNAMICS; MOLECULES; PROBES; VAN DER WAALS FORCES;

BINDING SITES;

CALCIUM; CATION; DEOXYRIBONUCLEASE I; METAL;

ARTICLE; BINDING SITE; BIOLOGICAL MODEL; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; GENETIC PROCEDURES; METABOLISM; MOLECULAR DYNAMICS; MOLECULAR PROBE; STATIC ELECTRICITY;

BINDING SITES; CALCIUM; CATIONS; COMPUTATIONAL BIOLOGY; DEOXYRIBONUCLEASE I; METALS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR PROBE TECHNIQUES; MOLECULAR PROBES; SOFTWARE; STATIC ELECTRICITY;

EID: 78049367220     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

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