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Journal of Molecular Graphics & Modelling|July 23, 2023
Discovery of 2-(Methylcarbonylamino) thiazole as PDE4 inhibitors via virtual screening and biological evaluationRui Ma, Na Song, Lveli Wang, et al.Journal of Molecular Graphics & Modelling|July 22, 2023
Amplifying the photovoltaic properties of phenylene dithiophene core based non-fused ring by engineering the terminal acceptors modification to enhance the efficiency of organic solar cellsAhmad Raza, Rana Farhat Mehmood, Ehsan Ullah Rashid, et al.Journal of Molecular Graphics & Modelling|July 15, 2023
Bambu and its applications in the discovery of active molecules against melanomaIsadora Leitzke Guidotti, Alessandra Neis, Daniela Peres Martinez, et al.Journal of Molecular Graphics & Modelling|August 9, 2023
Designing of fluorine-substituted benzodithiophene-based small molecules with efficient photovoltaic parametersRabia Iftikhar, Rabiya Irshad, Waqar Ali Zahid, et al.Journal of Molecular Graphics & Modelling|August 3, 2023
Concentration-dependent mechanism of the binding behavior of ibuprofen to the cell membrane: A molecular dynamic simulation studyMohammad Ghorbani, Gholamreza Dehghan, Abdollah AllahverdiJournal of Molecular Graphics & Modelling|August 11, 2023
DFT insight into metals and ligands substitution effects on reactivity of phenoxy-imine catalysts for ethylene polymerizationPavee Apilardmongkol, Manussada Ratanasak, Jun-Ya Hasegawa, et al.Journal of Molecular Graphics & Modelling|August 31, 2023
In silico discovery of food-derived phytochemicals against asialoglycoprotein receptor 1 for treatment of hypercholesterolemia: Pharmacophore modeling, molecular docking and molecular dynamics simulation approachShengyun Gao, Lei Wang, Feng Bai, et al.Journal of Molecular Graphics & Modelling|August 18, 2023
Temperature dependent molecular dynamics simulation study to understand the stabilizing effect of NADES on the protein β-LactoglobulinIndrani Baruah, Gargi BorgohainJournal of Molecular Graphics & Modelling|September 3, 2023
A quantum mechanical investigation of nanocone oxide as a drug carrier for zidovudine: AIDS drugAli Raza Ayub, Gulzaib Basharat, Salba Arshad, et al.Journal of Molecular Graphics & Modelling|September 4, 2023
Stability improvement of UV-filter between methoxy cinnamic acid derivatives and cyclodextrins inclusion complexes based on DFT and TD-DFT investigationsMalinee Promkatkaew, Pornthip Boonsri, Songwut Suramitr, et al.Pageof 400