| Title : A 3D-QSAR-driven approach to binding mode and affinity prediction - Tosco_2012_J.Chem.Inf.Model_52_302 |
| Author(s) : Tosco P , Balle T |
| Ref : J Chem Inf Model , 52 :302 , 2012 |
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Abstract :
A method for predicting the binding mode of a series of ligands is proposed. The procedure relies on three-dimensional quantitative structure-activity relationships (3D-QSAR) and does not require structural knowledge of the binding site. Candidate alignments are automatically built and ranked according to a consensus scoring function. 3D-QSAR analysis based on the selected binding mode enables affinity prediction of new drug candidates having less than 10 rotatable bonds. |
| PubMedSearch : Tosco_2012_J.Chem.Inf.Model_52_302 |
| PubMedID: 22087561 |
Tosco P, Balle T (2012)
A 3D-QSAR-driven approach to binding mode and affinity prediction
J Chem Inf Model
52 :302
Tosco P, Balle T (2012)
J Chem Inf Model
52 :302