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Journal of Molecular Graphics & Modelling|November 27, 2014
Principal Component Analysis reveals correlation of cavities evolution and functional motions in proteinsNathan Desdouits, Michael Nilges, Arnaud BlondelJournal of Molecular Graphics & Modelling|August 21, 2015
Docking studies of flavonoid compounds as inhibitors of β-ketoacyl acyl carrier protein synthase I (Kas I) of Escherichia coliGhalia Sabbagh, Noura BerakdarJournal of Molecular Graphics & Modelling|August 22, 2015
Band structure of graphene modulated by Ti or N dopants and applications in gas sensoringHong-Ping Zhang, Xue-Gang Luo, Xiao-Yan Lin, et al.Journal of Molecular Graphics & Modelling|March 11, 2018
Nature of bonding and cooperativity in linear DMSO clusters: A DFT, AIM and NCI analysisNatarajan Sathiyamoorthy Venkataramanan, Ambigapathy SuvithaJournal of Molecular Graphics & Modelling|August 17, 2017
Theoretical study on electron structure and charge transport properties of tetraazapentacene derivativesXiao-Dan TangJournal of Molecular Graphics & Modelling|January 21, 2019
Quantitative structure-property relationship modeling of the C60 fullerene derivatives as electron acceptors of polymer solar cells: Elucidating the functional groups critical for device performanceYuliya Z Martynova, Veronika R Khairullina, Yulya N Biglova, et al.Journal of Molecular Graphics & Modelling|February 8, 2018
Theoretical Insights into Imidazolidine Oxidation of Imidacloprid by Cytochrome P450 3A4Mei Lin Zheng, Chao Rui Li, Qun Hua Bai, et al.Journal of Molecular Graphics & Modelling|February 8, 2018
Identification and characterization of the druggable kinase targets of olmesartan and its analogues from a systematic kinase-chemical interaction profile in atherosclerosisRui-Juan Zhuang, Wei-Dong Jin, Xiao-Yan Wang, et al.Journal of Molecular Graphics & Modelling|August 25, 2017
Structural transition of solvated H-Ras/GTP revealed by molecular dynamics simulation and local network entropyShota Matsunaga, Yuta Hano, Yuta Saito, et al.Journal of Molecular Graphics & Modelling|January 7, 2018
Structure of focal adhesion kinase in healthy heart versus pathological cardiac hypertrophy: A modeling and simulation studyPallavi Mohanty, Sonika BhatnagarPageof 402