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| Title : Asymmetric biodegradation of the nerve agents Sarin and VX by human dUTPase: Chemometrics, Molecular Docking and Hybrid QM\/MM calculations - de Castro_2018_J.Biomol.Struct.Dyn__1 |
| Author(s) : de Castro AA , Soares FV , Pereira AF , Silva TC , Silva DR , Mancini DT , Caetano MS , da Cunha EFF , Ramalho TC |
| Ref : J Biomol Struct Dyn , :1 , 2018 |
| Abstract : de Castro_2018_J.Biomol.Struct.Dyn__1 |
| ESTHER : de Castro_2018_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : de Castro_2018_J.Biomol.Struct.Dyn__1 |
| PubMedID: 30044197 |
| Title : Theoretical Study on the Conformational Bioeffect of the Fluorination of Acetylcholine - Silla_2017_Mol.Inform_36_ |
| Author(s) : Silla JM , Silva DR , Freitas MP |
| Ref : Mol Inform , 36 : , 2017 |
| Abstract : Silla_2017_Mol.Inform_36_ |
| ESTHER : Silla_2017_Mol.Inform_36_ |
| PubMedSearch : Silla_2017_Mol.Inform_36_ |
| PubMedID: 28845912 |
| Title : Computational Enzymology and Organophosphorus Degrading Enzymes: Promising Approaches Toward Remediation Technologies of Warfare Agents and Pesticides - Ramalho_2016_Curr.Med.Chem_23_1041 |
| Author(s) : Ramalho TC , de Castro AA , Silva DR , Silva MC , Franca TCC , Bennion BJ , Kuca K |
| Ref : Curr Med Chem , 23 :1041 , 2016 |
| Abstract : Ramalho_2016_Curr.Med.Chem_23_1041 |
| ESTHER : Ramalho_2016_Curr.Med.Chem_23_1041 |
| PubMedSearch : Ramalho_2016_Curr.Med.Chem_23_1041 |
| PubMedID: 26898655 |
| Title : Structural insights into cholinesterases inhibition by harmane beta-carbolinium derivatives: a kinetics-molecular modeling approach - Torres_2012_Phytochemistry_81_24 |
| Author(s) : Torres JM , Lira AF , Silva DR , Guzzo LM , Sant'Anna CM , Kummerle AE , Rumjanek VM |
| Ref : Phytochemistry , 81 :24 , 2012 |
| Abstract : Torres_2012_Phytochemistry_81_24 |
| ESTHER : Torres_2012_Phytochemistry_81_24 |
| PubMedSearch : Torres_2012_Phytochemistry_81_24 |
| PubMedID: 22717507 |