| Title : Revealing the cholinergic inhibition mechanism of Alzheimer's by galantamine: a metadynamics simulation study - Ghosh_2020_J.Biomol.Struct.Dyn__1 |
| Author(s) : Ghosh S , Jana K , Wakchaure PD , Ganguly B |
| Ref : J Biomol Struct Dyn , :1 , 2020 |
| Abstract : |
| PubMedSearch : Ghosh_2020_J.Biomol.Struct.Dyn__1 |
| PubMedID: 33382027 |
| Title : Revealing the mechanistic pathway of cholinergic inhibition of Alzheimer's disease by donepezil: a metadynamics simulation study - Ghosh_2019_Phys.Chem.Chem.Phys_21_13578 |
| Author(s) : Ghosh S , Jana K , Ganguly B |
| Ref : Phys Chem Chem Phys , 21 :13578 , 2019 |
| Abstract : |
| PubMedSearch : Ghosh_2019_Phys.Chem.Chem.Phys_21_13578 |
| PubMedID: 31173012 |
| Title : Influence of gauche effect on uncharged oxime reactivators for the reactivation of tabun-inhibited AChE: quantum chemical and steered molecular dynamics studies - Ghosh_2018_J.Comput.Aided.Mol.Des_32_793 |
| Author(s) : Ghosh S , Jana K , Ganguly B |
| Ref : J Comput Aided Mol Des , 32 :793 , 2018 |
| Abstract : |
| PubMedSearch : Ghosh_2018_J.Comput.Aided.Mol.Des_32_793 |
| PubMedID: 29980922 |
| 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 : |
| 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 : |
| PubMedSearch : Lo_2016_Mol.Biosyst_12_1224 |
| PubMedID: 26879641 |
| Title : Can hydroxylamine be a more potent nucleophile for the reactivation of tabun-inhibited AChE than prototype oxime drugs? An answer derived from quantum chemical and steered molecular dynamics studies - Lo_2014_Mol.Biosyst_10_2368 |
| Author(s) : Lo R , Ganguly B |
| Ref : Mol Biosyst , 10 :2368 , 2014 |
| Abstract : |
| PubMedSearch : Lo_2014_Mol.Biosyst_10_2368 |
| PubMedID: 24964273 |
| 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 : |
| PubMedSearch : Chandar_2014_Chem.Biol.Interact_223C_58 |
| PubMedID: 25218671 |
| 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 : |
| 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 : |
| 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 : |
| PubMedSearch : Kesharwani_2010_Acta.Pharmacol.Sin_31_313 |
| PubMedID: 20140002 |