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In silico studies in probing the role of kinetic and structural effects of different drugs for the reactivation of tabun-inhibited AChESynthesis, structural characterization, docking, lipophilicity and cytotoxicity of 1-[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]-3-alkyl carbamates, novel acetylcholinesterase and butyrylcholinesterase pseudo-irreversible inhibitors.Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite.A new receptor with a FRET based fluorescence response for selective recognition of fumaric and maleic acids in aqueous medium.In silico studies on the role of mutant Y337A to reactivate tabun inhibited mAChE with K048.Quantum chemical and steered molecular dynamics studies for one pot solution to reactivate aged acetylcholinesterase with alkylator oxime.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.The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studies.Probing the selective separation of potassium ion from sodium ion with cyclopentadienyl anion as receptor: a computational study.Revealing halogen bonding interactions with anomeric systems: an ab initio quantum chemical studies.Superbasicity of silylene derivatives achieved via non-covalent intramolecular cation···π interactions and exploited as molecular containers for CO2.The properties of substituted 3D-aromatic neutral carboranes: the potential for σ-hole bonding.On the nature of the stabilisation of the E⋯π pnicogen bond in the SbCl3⋯toluene complexFrom Dibismuthenes to Three- and Two-Coordinated Bismuthinidenes by Fine Ligand Tuning: Evidence for Aromatic BiC3N Rings through a Combined Experimental and Theoretical StudyIn silico study on aging and reactivation processes of tabun conjugated AChERational design of a new class of polycyclic organic bases bearing two superbasic sites and their applications in the CO2 capture and activation processNon-covalent control of spin-state in metal-organic complex by positioning on N-doped grapheneFirst principle studies toward the design of a new class of carbene superbases involving intramolecular H···π interactionsProbing the reactivation process of sarin-inhibited acetylcholinesterase with α-nucleophiles: hydroxylamine anion is predicted to be a better antidote with DFT calculationsFirst principles studies toward the design of silylene superbases: a density functional theory studyAn Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground-State: A Nexus between Theory and ExperimentSpin modification of iron(ii) complexes via covalent (dative) and dispersion guided non-covalent bonding with N-heterocyclic carbenes: DFT, DLPNO-CCSD(T) and MCSCF studies
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description
onderzoeker
@nl
researcher ORCID ID = 0000-0002-4436-3618
@en
name
Rabindranath Lo
@ast
Rabindranath Lo
@en
Rabindranath Lo
@es
Rabindranath Lo
@nl
type
label
Rabindranath Lo
@ast
Rabindranath Lo
@en
Rabindranath Lo
@es
Rabindranath Lo
@nl
prefLabel
Rabindranath Lo
@ast
Rabindranath Lo
@en
Rabindranath Lo
@es
Rabindranath Lo
@nl
P106
P1153
40761671000
P31
P496
0000-0002-4436-3618