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Journal of Molecular Graphics & Modelling|April 9, 2019
Modeling of atomic-molecular structures by contiguous filling of space with Frank-Kasper atomic domainsOleh H Havrysh, Vladyslav Kholodovych, Evgen A AndreevJournal of Molecular Graphics & Modelling|September 23, 2018
Structural analysis of the woodland strawberry COI1-JAZ1 co-receptor for the plant hormone jasmonoyl-isoleucineFelipe Valenzuela-Riffo, Adrián Garrido-Bigotes, Pablo M Figueroa, et al.Journal of Molecular Graphics & Modelling|May 21, 2018
Separation of chloroform from a dilute solution using a cyclic peptide nanotube: A molecular dynamics studyXin Zhao, Jian Fen Fan, Xia Lan Si, et al.Journal of Molecular Graphics & Modelling|June 30, 2018
DFT investigation on the metabolic mechanisms of theophylline by cytochrome P450 monooxygenaseFan Rao, Zeqin Chen, Dagang Zhou, et al.Journal of Molecular Graphics & Modelling|July 14, 2018
H2O2 decomposition mechanism and its oxidative desulfurization activity on hexagonal boron nitride monolayer: A density functional theory studyHongping Li, Yujun Li, Linghao Sun, et al.Journal of Molecular Graphics & Modelling|July 23, 2018
In silico identification and analysis of the binding site for aminocoumarin type inhibitors in the C-terminal domain of Hsp90Samir S Roy, Manju KapoorJournal of Molecular Graphics & Modelling|May 15, 2017
Targeted inhibition of Klotho binding to fibroblast growth factor 23 prevents hypophosphetemiaMuhammad Fakhar, Sajid RashidJournal of Molecular Graphics & Modelling|May 16, 2017
DFT and TD-DFT theoretical studies on photo-induced electron transfer process on [Cefamandole].C60 nano-complexAvat Arman Taherpour, Morteza Jamshidi, Omid RezaeiJournal of Molecular Graphics & Modelling|April 27, 2017
Study of the mechanism of protonated histidine-induced conformational changes in the Zika virus dimeric envelope protein using accelerated molecular dynamic simulationsJixue Sun, Yang Li, Pi Liu, et al.Journal of Molecular Graphics & Modelling|May 23, 2017
Pharmacophore searching: A potential solution for correcting unknown ligands (UNK) labelling errors in Protein Data Bank (PDB'S)Musadiq Ibrahim, Adrian Jonathan Lapthorn, Mohammad IbrahimPageof 406