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Journal of Molecular Graphics & Modelling|August 24, 2022
Efficient hole transport materials based on naphthyridine core designed for application in perovskite solar photovoltaicsMorteza Vatanparast, Zahra ShariatiniaJournal of Molecular Graphics & Modelling|September 17, 2021
Molecular dynamics study of conformation transition from helix to sheet of Aβ42 peptideMin Zhou, Huilin Wen, Huimin Lei, et al.Journal of Molecular Graphics & Modelling|September 19, 2021
Investigation of structural analogs of hydroxychloroquine for SARS-CoV-2 main protease (Mpro): A computational drug discovery studySaima Reyaz, Alvea Tasneem, Gyan Prakash Rai, et al.Journal of Molecular Graphics & Modelling|May 23, 2020
Conceptual DFT and TDDFT study on electronic structure and reactivity of pure and sulfur doped (CrO3)n (n = 1-10) clustersShivangi Garg, Navjot Kaur, Neetu GoelJournal of Molecular Graphics & Modelling|May 25, 2020
The mechanism of the reaction between MAO and TMA: DFT study of the electronic structure and characterization of transition states for [AlOMe]6, [AlOMe]9 and [AlOMe]16 cagesVinícius Esteves Teixeira, Paolo Roberto LivottoJournal of Molecular Graphics & Modelling|June 13, 2020
Evidence for NAD+-dependent histone dynamics and tunneling associated conformational transitions in circadian deacetylase SIRT1Najumuddin, Muhammad Fakhar, Sajid RashidJournal of Molecular Graphics & Modelling|January 27, 2023
In silico insights into procathepsin S maturation mediated by glycosaminoglycansKrzysztof K Bojarski, Sergey A SamsonovJournal of Molecular Graphics & Modelling|January 28, 2023
Roxadustat and its failure: A comparative dynamic studyKainat Gul, Naila Zaman, Syed Sikander AzamJournal of Molecular Graphics & Modelling|March 24, 2023
DFT study of UV-vis-properties of thiophene-containing Cu(β-diketonato)2 - Application for DSSCJeanet ConradieJournal of Molecular Graphics & Modelling|September 11, 2021
Magnetic behaviors of an antiferromagnetic/ferromagnetic bilayer in a time-dependent magnetic fieldDan Lv, Jin-Cheng Liu, Fan Zhang, et al.Pageof 408