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Journal of Molecular Graphics & Modelling|October 3, 2006
Three hydrolases and a transferase: comparative analysis of active-site dynamics via the BioSimGrid databaseKaihsu Tai, Marc Baaden, Stuart Murdock, et al.Journal of Molecular Graphics & Modelling|October 5, 2006
3D-QSAR and molecular docking studies on pyrazolopyrimidine derivatives as glycogen synthase kinase-3beta inhibitorsNigus Dessalew, Dhilon S Patel, Prasad V BharatamJournal of Molecular Graphics & Modelling|May 8, 2007
From diatomics to drugs and dividendsW Graham RichardsJournal of Molecular Graphics & Modelling|December 4, 2022
Piperidine-based natural products targeting Type IV pili antivirulence: A computational approachAslihan Ozcan, Ozlem Keskin, Berna Sariyar Akbulut, et al.Journal of Molecular Graphics & Modelling|June 5, 2021
Multiple machine learning models combined with virtual screening and molecular docking to identify selective human ALDH1A1 inhibitorsGera Narendra, Baddipadige Raju, Himanshu Verma, et al.Journal of Molecular Graphics & Modelling|December 16, 2022
Structural basis of Nrf2 activation by flavonolignans from silymarinMartiniano BelloJournal of Molecular Graphics & Modelling|December 17, 2022
Molecular dynamics-based analysis of the factors influencing the CO2 replacement of methane hydrateWeirong Li, Haobin Xu, Xinle Ma, et al.Journal of Molecular Graphics & Modelling|December 12, 2022
An investigation of halogen induced improvement of β12 borophene for Na/Li storage by density functional theorySoheila Javadian, Abolfazl Hajilou, Hussein GharibiJournal of Molecular Graphics & Modelling|December 8, 2022
Modelling SARS-CoV-2 spike-protein mutation effects on ACE2 bindingShivani Thakur, Rajaneesh Kumar Verma, Kasper Planeta Kepp, et al.Journal of Molecular Graphics & Modelling|January 20, 2023
Efficient delivery of anticancer 5-fluorouracil drug by alkaline earth metal functionalized porphyrin-like porous fullerenes: A DFT studyMehdi D Esrafili, Mahtab KadriPageof 406