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Journal of Molecular Modeling|June 21, 2020
A linker of the proline-threonine repeating motif sequence is bimodalMunir Salomão Skaf, Igor Polikarpov, Ivana M StankovićJournal of Molecular Modeling|June 21, 2020
Study of p-(3-carboxy-1-adamantyl)-calix[4]arene with hydrogen bonds along the upper and lower rim by IR spectroscopy and DFTV L Furer, L I Potapova, D V Chachkov, et al.Journal of Molecular Modeling|September 2, 2021
Comparative studies of C7H10N2 pyridine and C7H10N2S pyrrole for optoelectronic applications by mBJ approachM Bashi, Hossein Asghar Rahnamaye Aliabad, M SamsamiJournal of Molecular Modeling|March 11, 2023
Comparative analysis of the reactivity of anthocyanidins, leucoanthocyanidins, and flavonols using a quantum chemistry approachSergio Antônio de Souza Farias, Kauê Santana da Costa, João B L MartinsJournal of Molecular Modeling|March 1, 2023
The single-atom catalytic activity of the hydrogen evolution reaction of the experimentally synthesized boridene 2D material: a density functional theory studyZhaoju Gao, Zhijing Huang, Wenya Zhang, et al.Journal of Molecular Modeling|February 4, 2023
Theoretical insights into the reaction mechanism and kinetics of ampicillin degradation with hydroxyl radicalSeyda Aydogdu, Arzu HatipogluJournal of Molecular Modeling|February 9, 2023
How deeply should we analyze non-covalent interactions?Timothy ClarkJournal of Molecular Modeling|November 17, 2022
Investigating a nickel-decorated fullerene for adsorbing tespa anticancer: drug delivery assessmentsHayder Hamid Al-Anbari, Zena Abdul-Ameer Mahdi, Hasan Zandi, et al.Journal of Molecular Modeling|November 18, 2022
Designing a humanized immunotoxin based on DELTA-stichotoxin-Hmg2a toxin: an in silico studyZeinab Ghesmati, Samira Mokhtari, Maliheh Parvanak, et al.Journal of Molecular Modeling|November 16, 2022
A molecular dynamics study on the diffusion and imprint ability of spectinomycin under different sizes of aniline oligomersChanadan Douykhumklaw, Thana SutthibutpongPageof 696