6533b7d9fe1ef96bd126cb7c
RESEARCH PRODUCT
2D- and 3D-QSAR Models of Interaction between Flavor Compounds and beta-Lactoglobulin Using Catalyst and Cerius2
Elisabeth GuichardAnne TromelinAnne Tromelinsubject
Quantitative structure–activity relationshipbiologyChemistryOrganic ChemistryDrug Discoverybiology.proteinOrganic chemistrybiology.organism_classificationBeta-lactoglobulinAromaFlavorComputer Science ApplicationsCatalysisdescription
The present paper describes an application of Catalyst to three aroma sets (35, 24 and 21 compounds respectively) to generate activities-based alignments, using the best significant generated hypotheses. The obtained Catalyst models confirmed the existence of at least two binding sites on the BLG.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2004-06-01 | QSAR & Combinatorial Science |