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Organic Letters|February 24, 2018
Transformation of Substituted Glycals to Chiral Fused Aromatic Cores via Annulative π-Extension Reactions with ArynesNazar Hussain, Kalyanashis Jana, Bishwajit Ganguly, et al.Journal of Molecular Modeling|May 9, 2016
Does the position of the electron-donating nitrogen atom in the ring system influence the efficiency of a dye-sensitized solar cell? A computational studyAbul Kalam Biswas, Sunirmal Barik, Amitava Das, et al.Journal of Computer-Aided Molecular Design|June 25, 2017
Revealing the importance of linkers in K-series oxime reactivators for tabun-inhibited AChE using quantum chemical, docking and SMD studiesShibaji Ghosh, Nellore Bhanu Chandar, Kalyanashis Jana, et al.Acta Pharmacologica Sinica|February 9, 2010
Differential binding of bispyridinium oxime drugs with acetylcholinesteraseManoj K Kesharwani, Bishwajit Ganguly, Amit Das, et al.Chemical Communications (Cambridge, England)|May 10, 2012
Rational design of a new class of polycyclic organic bases bearing two superbasic sites and their applications in the CO2 capture and activation processRabindranath Lo, Ajeet Singh, Manoj K Kesharwani, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|September 21, 2004
Structure-property correlation of a new family of organogelators based on organic salts and their selective gelation of oil from oil/water mixturesDarshak R Trivedi, Amar Ballabh, Parthasarathi Dastidar, et al.Journal of Molecular Modeling|February 18, 2010
A density functional study towards substituent effects on anion sensing with urea receptorsAmrita Ghosh, D Amilan Jose, Amitava Das, et al.Journal of Biomolecular Structure & Dynamics|December 31, 2020
Revealing the cholinergic inhibition mechanism of Alzheimer's by galantamine: a metadynamics simulation studyShibaji Ghosh, Kalyanashis Jana, Padmaja D Wakchaure, et al.Molecular Biosystems|February 17, 2016
The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studiesRabindranath Lo, Nellore Bhanu Chandar, Shibaji Ghosh, et al.Journal of Molecular Graphics & Modelling|May 25, 2011
Probing the reactivation process of sarin-inhibited acetylcholinesterase with α-nucleophiles: hydroxylamine anion is predicted to be a better antidote with DFT calculationsMd Abdul Shafeeuulla Khan, Rabindranath Lo, Tusar Bandyopadhyay, et al.Pageof 13