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| Title : Dynamic Mechanism of a Fluorinated Oxime Reactivator Unbinding from AChE Gorge in Polarizable Water - Pathak_2018_J.Phys.Chem.B_122_3876 |
| Author(s) : Pathak AK , Bandyopadhyay T |
| Ref : J Phys Chem B , 122 :3876 , 2018 |
| Abstract : Pathak_2018_J.Phys.Chem.B_122_3876 |
| ESTHER : Pathak_2018_J.Phys.Chem.B_122_3876 |
| PubMedSearch : Pathak_2018_J.Phys.Chem.B_122_3876 |
| PubMedID: 29553731 |
| Title : Unbinding of fluorinated oxime drug from the AChE gorge in polarizable water: a well-tempered metadynamics study - Pathak_2017_Phys.Chem.Chem.Phys_19_5560 |
| Author(s) : Pathak AK , Bandyopadhyay T |
| Ref : Phys Chem Chem Phys , 19 :5560 , 2017 |
| Abstract : Pathak_2017_Phys.Chem.Chem.Phys_19_5560 |
| ESTHER : Pathak_2017_Phys.Chem.Chem.Phys_19_5560 |
| PubMedSearch : Pathak_2017_Phys.Chem.Chem.Phys_19_5560 |
| PubMedID: 28165084 |
| Title : Ortho-7 bound to the active-site gorge of free and OP-conjugated acetylcholinesterase: Cation-pi interactions - Pathak_2016_Biopolymers_105_10 |
| Author(s) : Pathak AK , Bandyopadhyay T |
| Ref : Biopolymers , 105 :10 , 2016 |
| Abstract : Pathak_2016_Biopolymers_105_10 |
| ESTHER : Pathak_2016_Biopolymers_105_10 |
| PubMedSearch : Pathak_2016_Biopolymers_105_10 |
| PubMedID: 26270602 |
| Title : Unbinding free energy of acetylcholinesterase bound oxime drugs along the gorge pathway from metadynamics-umbrella sampling investigation - Pathak_2014_Proteins_82_1799 |
| Author(s) : Pathak AK , Bandyopadhyay T |
| Ref : Proteins , 82 :1799 , 2014 |
| Abstract : Pathak_2014_Proteins_82_1799 |
| ESTHER : Pathak_2014_Proteins_82_1799 |
| PubMedSearch : Pathak_2014_Proteins_82_1799 |
| PubMedID: 24549829 |
| Title : Energetics of Ortho-7 (oxime drug) translocation through the active-site gorge of tabun conjugated acetylcholinesterase - Sinha_2012_PLoS.One_7_e40188 |
| Author(s) : Sinha V , Ganguly B , Bandyopadhyay T |
| Ref : PLoS ONE , 7 :e40188 , 2012 |
| Abstract : Sinha_2012_PLoS.One_7_e40188 |
| ESTHER : Sinha_2012_PLoS.One_7_e40188 |
| PubMedSearch : Sinha_2012_PLoS.One_7_e40188 |
| PubMedID: 22808117 |
| Title : Probing the reactivation process of sarin-inhibited acetylcholinesterase with alpha-nucleophiles: hydroxylamine anion is predicted to be a better antidote with DFT calculations - Khan_2011_J.Mol.Graph.Model_29_1039 |
| Author(s) : Khan MA , Lo R , Bandyopadhyay T , Ganguly B |
| Ref : J Mol Graph Model , 29 :1039 , 2011 |
| Abstract : Khan_2011_J.Mol.Graph.Model_29_1039 |
| ESTHER : Khan_2011_J.Mol.Graph.Model_29_1039 |
| PubMedSearch : Khan_2011_J.Mol.Graph.Model_29_1039 |
| PubMedID: 21605992 |
| Title : Differential binding of bispyridinium oxime drugs with acetylcholinesterase - Kesharwani_2010_Acta.Pharmacol.Sin_31_313 |
| Author(s) : Kesharwani MK , Ganguly B , Das A , Bandyopadhyay T |
| Ref : Acta Pharmacol Sin , 31 :313 , 2010 |
| Abstract : Kesharwani_2010_Acta.Pharmacol.Sin_31_313 |
| ESTHER : Kesharwani_2010_Acta.Pharmacol.Sin_31_313 |
| PubMedSearch : Kesharwani_2010_Acta.Pharmacol.Sin_31_313 |
| PubMedID: 20140002 |