| 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 : |
| 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 : |
| 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 : |
| 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 : |
| PubMedSearch : Pathak_2014_Proteins_82_1799 |
| PubMedID: 24549829 |