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Journal of Molecular Graphics & Modelling|July 23, 2016
Explaining the autoinhibition of the SMYD enzyme family: A theoretical studyNizar A Al-Shar'i, Soraya M AlnabulsiJournal of Molecular Graphics & Modelling|July 25, 2016
Vibrational analysis and formation mechanism of typical deep eutectic solvents: An experimental and theoretical studySiwen Zhu, Hongping Li, Wenshuai Zhu, et al.Journal of Molecular Graphics & Modelling|July 31, 2016
Modeling the protonation states of β-secretase binding pocket by molecular dynamics simulations and docking studiesDima A Sabbah, Haizhen A ZhongJournal of Molecular Graphics & Modelling|July 31, 2016
Multi-scale molecular dynamics study of cholera pentamer binding to a GM1-phospholipid membraneAkshay Sridhar, Amit Kumar, Ashok Kumar DasmahapatraJournal of Molecular Graphics & Modelling|July 22, 2016
Grand Canonical Monte Carlo coupled multiscale simulation for electrochemical and solvent parameters of silver halide systems in waterV Sudha, S Harinipriya, M V SangaranarayananJournal of Molecular Graphics & Modelling|April 28, 2015
The role of Ir4 cluster in enhancing the adsorption of CO2 on selected zeolites - GCMC simulationsDaniel Smykowski, Kacper Nowak, Rafał Łużny, et al.Journal of Molecular Graphics & Modelling|April 29, 2015
Theoretical investigation of self-assembled donor-acceptor phthalocyanine complexes and their application in dye-sensitized solar cellsLijuan Yu, Li Lin, Yuwen Liu, et al.Journal of Molecular Graphics & Modelling|April 1, 1997
A molecular dynamics study of the inclusion of mono- and disubstituted benzenes in beta-cyclodextrinB Manunza, S Deiana, M Pintore, et al.Journal of Molecular Graphics & Modelling|August 27, 2025
A machine learning-gaussian process screening of carbazole based donors to design efficient organic polymers for photovoltaic applicationsHussein A K Kyhoiesh, Ashraf Y Elnaggar, Mustafa Al-Khafaji, et al.Journal of Molecular Graphics & Modelling|July 14, 2020
Molecular insight into the smart functionalized TMC-Fullerene nanocarrier in the pH-responsive adsorption and release of anti-cancer drugsReza Maleki, Azadeh Khoshoei, Ebrahim Ghasemy, et al.Pageof 400