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Journal of Molecular Graphics & Modelling|August 14, 2022
Dual modification to stabilize Non-IPR C72 fullerene: A new theoretical strategySoumadip Banerjee, Tamalika Ash, Tanay Debnath, et al.Journal of Molecular Graphics & Modelling|August 14, 2022
Photodegradation of dye using Polythiophene/ZnO nanocomposite: A computational approachShivangi Garg, Neetu GoelJournal of Molecular Graphics & Modelling|August 6, 2022
Pharmacophore modelling, docking and molecular dynamic simulation studies in the discovery of potential human renin inhibitorsMohammad Halimi, Amirhossein HajipashaJournal of Molecular Graphics & Modelling|August 13, 2022
Functionalized carbon nanotubes as an alternative to traditional anti-HIV-1 protease inhibitors: An understanding towards Nano-medicine development through MD simulationsMadhusmita Panda, Priyanka Purohit, Yixuan Wang, et al.Journal of Molecular Graphics & Modelling|May 20, 2021
Deciphering the molecular basis of the kappa opioid receptor selectivity: A Molecular Dynamics studyAmr H Saleh, Ahmad Abdelwaly, Khaled M Darwish, et al.Journal of Molecular Graphics & Modelling|May 4, 2021
Tetrazoles as PPARγ ligands: A structural and computational investigationKarina de Paula, Jademilson C Santos, Ana Carolina Mafud, et al.Journal of Molecular Graphics & Modelling|June 6, 2015
Effective virtual screening strategy focusing on the identification of novel Bruton's tyrosine kinase inhibitorsJianhu Xiao, Shengping Zhang, Minghao Luo, et al.Journal of Molecular Graphics & Modelling|June 10, 2015
Effects of imidazolium-based ionic surfactants on the size and dynamics of phosphatidylcholine bilayers with saturated and unsaturated chainsHwankyu LeeJournal of Molecular Graphics & Modelling|June 29, 2015
The study of dual COX-2/5-LOX inhibitors by using electronic-topological approach based on data on the ligand-receptor interactionsFatma Aksakal, Natali Shvets, Anatholy DimogloJournal of Molecular Graphics & Modelling|May 8, 2015
Recovery of the wild type atomic flexibility in the HIV-1 protease double mutantsValderes De Conto, Antônio S K Braz, David Perahia, et al.Pageof 407