[1]
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Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein – Human ACE2 interface
Journal of Molecular Structure,
2021
DOI:10.1016/j.molstruc.2021.130076
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[2]
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Acidic Stabilization of the Dual-Aromatic Heterocyclic Anions
Catalysts,
2021
DOI:10.3390/catal11070766
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[3]
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Computational investigation of the carmustine (BCNU) alkylation mechanism using the QTAIM, IQA, and NBO models
Structural Chemistry,
2021
DOI:10.1007/s11224-020-01604-x
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[4]
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Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein – Human ACE2 interface
Journal of Molecular Structure,
2021
DOI:10.1016/j.molstruc.2021.130076
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[5]
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Productivity yielding in shell and tube heat exchanger by MCDM-NBO approach
Measurement and Control,
2019
DOI:10.1177/0020294019836109
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[6]
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Organic Reaction Mechanisms · 2014
Organic Reaction Mechanisms Series,
2018
DOI:10.1002/9781118941829.ch7
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[7]
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Organic Reaction Mechanisms · 2014
Organic Reaction Mechanisms Series,
2017
DOI:10.1002/9781118941829.ch7
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[8]
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Study on molecular structure, spectroscopic properties (FTIR and UV–Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance used to treat cancer
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2017
DOI:10.1016/j.saa.2017.04.070
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