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Mohammad Sadegh Sadeghi Googheri

ORCID: 0000-0001-8259-2246
Observed ORCID: 0000-0001-8259-2246
OpenAlex ID: A5016799511
Hydrogen bonding investigation in 1-ethyl-3-methylimidazolium based ionic liquids from density functional theory and atoms-in-molecules methods
2012 · Mohammad Reza Housaindokht, Hossein Eshtiagh Hosseini, et al. · Journal of Molecular Liquids · 45
Enzyme is stabilized by a protection layer of ionic liquids in supercritical CO2: Insights from molecular dynamic simulation
2012 · Hassan Monhemi, Mohammad Reza Housaindokht, et al. · The Journal of Supercritical Fluids · 38
It is explored that ionic liquids can be suitable solvents for nitrile hydratase catalyzed reactions: A gift of the molecular modeling for the industry
2013 · Mohammad Reza Housaindokht, Hassan Monhemi, et al. · Journal of Molecular Liquids · 21
The effects of fluorine substitution on the chemical properties and inhibitory capacity of Donepezil anti-Alzheimer drug; density functional theory and molecular docking calculations
2016 · Azita Khosravan, Safora Marani, et al. · Journal of Molecular Graphics and Modelling · 14
Reaction mechanism and free energy profile for acylation of Candida Antarctica lipase B with methylcaprylate and acetylcholine: Density functional theory calculations
2014 · Mohammad Sadegh Sadeghi Googheri, Mohammad Reza Housaindokht, et al. · Journal of Molecular Graphics and Modelling · 11
How cationic and anionic portions of an imidazolium-based ionic liquid interact with molecular liquids: Insights from density functional theory calculations
2018 · Amin Hosseinian, Mohammad Sadegh Sadeghi Googheri · Journal of Molecular Liquids · 10
Configurational effect on ion-pair interaction energies and intermolecular potential energy functions in imidazolium-based ionic liquids: A theoretical study
2018 · Motahare Sadeghi Googheri, Mohammad Sadegh Sadeghi Googheri, et al. · Journal of Molecular Liquids · 10
Dummy Template Molecularly Imprinted Polymers for Electrochemical Detection of Cardiac Troponin I: A Combined Computational and Experimental Approach
2025 · Mohammad Sadegh Sadeghi Googheri, Davide Campagnol, et al. · Chemosensors · 9
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Configurational study of amino-functionalized silica surfaces: A density functional theory modeling
2015 · Samira Hozhabr Araghi, Mohammad H. Entezari, et al. · Journal of Molecular Graphics and Modelling · 9
A molecular dynamics simulations study of the ionic liquid effect on the β-glucosidase active site interactions with a flavonoid glycoside
2021 · Samira Hozhabr Araghi, Amalraj John, et al. · Journal of Molecular Liquids · 8
An in-silico study to gain a comprehensive understanding of the effects of glucosylation on quercetin properties
2022 · Samira Hozhabr Araghi, John Amalraj, et al. · Computational and Theoretical Chemistry · 7
How a crosslinker agent interacts with the β-glucosidase enzyme surface in an aqueous solution: Insight from quantum mechanics calculations and molecular dynamics simulations
2021 · Samira Hozhabr Araghi, Amalraj John, et al. · Colloids and Surfaces B Biointerfaces · 7
Theoretical studies on the deacylation step of acylated Candida Antarctica lipase B: Structural and reaction pathway analysis
2015 · Mohammad Sadegh Sadeghi Googheri, Mohammad Reza Housaindokht, et al. · Journal of Molecular Graphics and Modelling · 7
The influence of hydrophobic amino acid side groups on the acidity of the aromatic imidazole ring of histidine: A theoretical study
2011 · Reza Izadi Najafabadi, Mohammad Reza Housaindokht, et al. · International Journal of Quantum Chemistry · 6
Combined experimental and computational studies of N-Phenyl-o-benzenedisulfonimide: Spectroscopy, DFT calculations, and Druggability analysis
2024 · Sedat Gumus, Mohammad Sadegh Sadeghi Googheri, et al. · Journal of Molecular Structure · 3
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Molecular insights into the influence of phosphonium-based ionic liquids (PhILs) on Burkholderia cepacia lipase (BCL) enzyme dynamics
2025 · Mohammad Sadegh Sadeghi Googheri, Jans Alzate-Morales, et al. · Journal of Molecular Liquids · 2
Molecular Insights into Phosphonium-Based Ionic Liquid Extraction of Phenolic Pollutants from Aqueous Solutions
2025 · Mohammad Sadegh Sadeghi Googheri, Samira Hozhabr Araghi, et al. · The Journal of Physical Chemistry B · 1
Influence of Hydrophobic amino acid side groups on the acidity of aromatic imidazole ring of Histidine: A theoretical study
2011 · Mohammad Reza Housaindokht, Reza Izadi, et al. · Clinical Biochemistry
A theoretical study of RNA base pairs: Conformational and kinetic study of Uracil
2011 · Mohammad Sadegh Sadeghi Googheri, Alireza Nowroozi, et al. · Clinical Biochemistry
Works count: 19
Citation count: 208
H-index: 9
I10-index: 7
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