Mohammad Sadegh Sadeghi Googheri

Hydrogen bonding investigation in 1-ethyl-3-methylimidazolium based ionic liquids from density functional theory and atoms-in-molecules methods

Mohammad Reza Housaindokht, Hossein Eshtiagh‐Hosseini, Mohammad Sadegh Sadeghi Googheri et al. · Journal of Molecular Liquids · 2012 · 42 citations

Natural Sciences, Chemistry, Materials Science +15

Enzyme is stabilized by a protection layer of ionic liquids in supercritical CO2: Insights from molecular dynamic simulation

Hassan Monhemi, Mohammad Reza Housaindokht, Mohammad Reza Bozorgmehr et al. · The Journal of Supercritical Fluids · 2012 · 39 citations

Life Sciences, Biochemistry, Chemistry +17

It is explored that ionic liquids can be suitable solvents for nitrile hydratase catalyzed reactions: A gift of the molecular modeling for the industry

Mohammad Reza Housaindokht, Hassan Monhemi, Hossein Eshtiagh‐Hosseini et al. · Journal of Molecular Liquids · 2013 · 20 citations

Natural Sciences, Chemical Engineering, Chemistry +17

The effects of fluorine substitution on the chemical properties and inhibitory capacity of Donepezil anti-Alzheimer drug; density functional theory and molecular docking calculations

Azita Khosravan, Safora Marani, Mohammad Sadegh Sadeghi Googheri · Journal of Molecular Graphics and Modelling · 2016 · 13 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Reaction mechanism and free energy profile for acylation of Candida Antarctica lipase B with methylcaprylate and acetylcholine: Density functional theory calculations

Mohammad Sadegh Sadeghi Googheri, Mohammad Reza Housaindokht, Hassan Sabzyan · Journal of Molecular Graphics and Modelling · 2014 · 12 citations

Life Sciences, Biochemistry, Chemistry +14