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Journal of Molecular Graphics & Modelling|September 30, 2016
The effect of protonation of cytosine and adenine on their interactions with carbon nanotubesMarina V Kosevich, Valentina G Zobnina, Stepan G Stepanian, et al.Journal of Molecular Graphics & Modelling|May 23, 2008
A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicalsFilip Fratev, Emilio BenfenatiJournal of Molecular Graphics & Modelling|May 24, 2008
Prediction of bond dissociation enthalpy of antioxidant phenols by support vector machineChanin Nantasenamat, Chartchalerm Isarankura-Na-Ayudhya, Thanakorn Naenna, et al.Journal of Molecular Graphics & Modelling|February 27, 2014
Characterization of CO2 and mixed methane/CO2 hydrates intercalated in smectites by means of atomistic calculationsRubén Martos-Villa, M Pilar Mata, C Ignacio Sainz-DíazJournal of Molecular Graphics & Modelling|October 23, 2018
In vitro and in silico studies of antioxidant activity of 2-thiazolylhydrazone derivativesVinícius Gonçalves Maltarollo, Marina Ferrara de Resende, Thales Kronenberger, et al.Journal of Molecular Graphics & Modelling|October 24, 2018
The role of LasR active site amino acids in the interaction with the Acyl Homoserine Lactones (AHLs) analogues: A computational studyMaicol Ahumedo Monterrosa, Johan Fabian Galindo, Javier Vergara Lorduy, et al.Journal of Molecular Graphics & Modelling|October 28, 2018
Theoretical study of high-efficiency organic dyes with the introduction of different auxiliary heterocyclic acceptors based on IQ1 toward dye-sensitized solar cellsYongxin Xu, Minjie Li, Yan Fu, et al.Journal of Molecular Graphics & Modelling|November 19, 2018
Coarse-grained molecular dynamics of membrane semitoroidal pore formation in model lipid-peptide systemsElena Ermakova, Rauf Kurbanov, Yuriy ZuevJournal of Molecular Graphics & Modelling|October 19, 2018
Structural significance of hypermodified nucleoside 5-carboxymethylaminomethyluridine (cmnm5U) from 'wobble' (34th) position of mitochondrial tRNAs: Molecular modeling and Markov state model studiesNavanath M Kumbhar, Janhavi S GopalJournal of Molecular Graphics & Modelling|November 3, 2018
Immobilization and unbinding investigation of the antigen-antibody complex using theoretical and experimental techniquesGuedmiller S Oliveira, Jéssica C M Ierich, Ariana S Moraes, et al.Pageof 407