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Journal of Molecular Graphics & Modelling|February 1, 2022
Carnitine palmitoyl transferase I: Conformational changes induced by long-chain fatty acyl CoA ligandsVitor Galvão Lopes, Adriano de Britto Chaves Filho, Marcos Yukio Yoshinaga, et al.Journal of Molecular Graphics & Modelling|April 25, 2022
Identification of phytocompounds as newer antiviral drugs against COVID-19 through molecular docking and simulation based studyBipasa Kar, Budheswar Dehury, Mahender Kumar Singh, et al.Journal of Molecular Graphics & Modelling|April 22, 2022
Exploration of the inhibitory mechanism of PC190723 on FtsZ protein by molecular dynamics simulationYangchun Ma, Shenyan Zhang, Liang Zhou, et al.Journal of Molecular Graphics & Modelling|April 22, 2022
Design, preparation and adsorption performances of norfloxacin molecularly imprinted polymersDadong Liang, Xiaoshuang Wang, Jin Liu, et al.Journal of Molecular Graphics & Modelling|March 29, 2022
Structure and dynamics of hydrophobic deep eutectic solvents composed from terpene-fatty acids investigated by molecular dynamics simulationSamaneh Barani Pour, Jaber Jahanbin Sardroodi, Alireza Rastkar EbrahimzadehJournal of Molecular Graphics & Modelling|April 12, 2022
Molecular dynamics simulation of the adsorption properties of graphene oxide/graphene composite for alkali metal ionsJianping Zeng, Yan Zhang, Yuhang Chen, et al.Journal of Molecular Graphics & Modelling|October 2, 2018
Modeling protic dicationic ionic liquids based on quaternary ammonium, imidazolium or pyrrolidinium cations and bis(trifluoromethanesulfonyl)imide anion: Structure and spectral characteristicsPrakash L Verma, Shridhar P GejjiJournal of Molecular Graphics & Modelling|October 9, 2018
First principle study of electronic, mechanical, optical and thermoelectric properties of CsMO3 (M = Ta, Nb) compounds for optoelectronic devicesB Sabir, G Murtaza, R M Arif Khalil, et al.Journal of Molecular Graphics & Modelling|April 9, 2019
Orthogonal order parameters to model the reaction coordinate of an enzyme catalyzed reactionSanjib Paul, Tanmoy Kumar Paul, Srabani TaraphderJournal of Molecular Graphics & Modelling|June 29, 2019
Understanding substitution effects on dye structures and optoelectronic properties of molecular halide perovskite Cs4MX6 (M=Pb, Sn, Ge; X= Br, I, Cl)Lei Zhang, Kun XuPageof 408