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| Title : Binding Space Concept: A New Approach To Enhance the Reliability of Docking Scores and Its Application to Predicting Butyrylcholinesterase Hydrolytic Activity - Vistoli_2017_J.Chem.Inf.Model_57_1691 |
| Author(s) : Vistoli G , Mazzolari A , Testa B , Pedretti A |
| Ref : J Chem Inf Model , 57 :1691 , 2017 |
| Abstract : Vistoli_2017_J.Chem.Inf.Model_57_1691 |
| ESTHER : Vistoli_2017_J.Chem.Inf.Model_57_1691 |
| PubMedSearch : Vistoli_2017_J.Chem.Inf.Model_57_1691 |
| PubMedID: 28633528 |
| Title : In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations - Vistoli_2010_Bioorg.Med.Chem_18_320 |
| Author(s) : Vistoli G , Pedretti A , Mazzolari A , Testa B |
| Ref : Bioorganic & Medicinal Chemistry , 18 :320 , 2010 |
| Abstract : Vistoli_2010_Bioorg.Med.Chem_18_320 |
| ESTHER : Vistoli_2010_Bioorg.Med.Chem_18_320 |
| PubMedSearch : Vistoli_2010_Bioorg.Med.Chem_18_320 |
| PubMedID: 19932971 |
| Gene_locus related to this paper: human-CES1 |
| Title : Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0 - Vistoli_2010_J.Comput.Aided.Mol.Des_24_771 |
| Author(s) : Vistoli G , Pedretti A , Mazzolari A , Testa B |
| Ref : J Comput Aided Mol Des , 24 :771 , 2010 |
| Abstract : Vistoli_2010_J.Comput.Aided.Mol.Des_24_771 |
| ESTHER : Vistoli_2010_J.Comput.Aided.Mol.Des_24_771 |
| PubMedSearch : Vistoli_2010_J.Comput.Aided.Mol.Des_24_771 |
| PubMedID: 20623318 |
| Title : Influence of ionization state on the activation of temocapril by hCES1: a molecular-dynamics study - Vistoli_2009_Chem.Biodivers_6_2092 |
| Author(s) : Vistoli G , Pedretti A , Mazzolari A , Bolchi C , Testa B |
| Ref : Chem Biodivers , 6 :2092 , 2009 |
| Abstract : Vistoli_2009_Chem.Biodivers_6_2092 |
| ESTHER : Vistoli_2009_Chem.Biodivers_6_2092 |
| PubMedSearch : Vistoli_2009_Chem.Biodivers_6_2092 |
| PubMedID: 19937843 |