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| Title : Molecular dynamics simulations of the interaction of Mouse and Torpedo acetylcholinesterase with covalent inhibitors explain their differential reactivity: Implications for drug design - Chandar_2019_Chem.Biol.Interact_13ChEPon_310_108715 |
| Author(s) : Chandar NB , Efremenko I , Silman I , Martin JML , Sussman JL |
| Ref : Chemico-Biological Interactions , 310 :108715 , 2019 |
| Abstract : Chandar_2019_Chem.Biol.Interact_13ChEPon_310_108715 |
| ESTHER : Chandar_2019_Chem.Biol.Interact_13ChEPon_310_108715 |
| PubMedSearch : Chandar_2019_Chem.Biol.Interact_13ChEPon_310_108715 |
| PubMedID: 31226285 |
| Title : Revealing the importance of linkers in K-series oxime reactivators for tabun-inhibited AChE using quantum chemical, docking and SMD studies - Ghosh_2017_J.Comput.Aided.Mol.Des_31_729 |
| Author(s) : Ghosh S , Chandar NB , Jana K , Ganguly B |
| Ref : J Comput Aided Mol Des , 31 :729 , 2017 |
| Abstract : Ghosh_2017_J.Comput.Aided.Mol.Des_31_729 |
| ESTHER : Ghosh_2017_J.Comput.Aided.Mol.Des_31_729 |
| PubMedSearch : Ghosh_2017_J.Comput.Aided.Mol.Des_31_729 |
| PubMedID: 28646405 |
| Title : The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studies - Lo_2016_Mol.Biosyst_12_1224 |
| Author(s) : Lo R , Chandar NB , Ghosh S , Ganguly B |
| Ref : Mol Biosyst , 12 :1224 , 2016 |
| Abstract : Lo_2016_Mol.Biosyst_12_1224 |
| ESTHER : Lo_2016_Mol.Biosyst_12_1224 |
| PubMedSearch : Lo_2016_Mol.Biosyst_12_1224 |
| PubMedID: 26879641 |
| Title : Quantum chemical and steered molecular dynamics studies for one pot solution to reactivate aged acetylcholinesterase with alkylator oxime - Chandar_2014_Chem.Biol.Interact_223C_58 |
| Author(s) : Chandar NB , Lo R , Ganguly B |
| Ref : Chemico-Biological Interactions , 223C :58 , 2014 |
| Abstract : Chandar_2014_Chem.Biol.Interact_223C_58 |
| ESTHER : Chandar_2014_Chem.Biol.Interact_223C_58 |
| PubMedSearch : Chandar_2014_Chem.Biol.Interact_223C_58 |
| PubMedID: 25218671 |