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Journal of Molecular Graphics & Modelling|September 23, 2021
Twisted bilayer arsenene sheets as a chemical sensor for toluene and M-xylene vapours - A DFT investigationV Nagarajan, R ChandiramouliJournal of Molecular Graphics & Modelling|June 7, 2000
Identification, display, and use of symmetry elements in atomic and electronic structure modelsN Khosrovani, P W Kung, C M Freeman, et al.Journal of Molecular Graphics & Modelling|October 6, 2000
A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screeningH B BroughtonJournal of Molecular Graphics & Modelling|January 13, 2001
Semiempirical and ab initio conformational analysis of 2-methylene-8,8-dimethyl-1,4,6,10-tetraoxaspiro[4.5] decane with application of GIAO-SCF methods to NMR spectrum interpretationC D Harris, A J Holder, J D Eick, et al.Journal of Molecular Graphics & Modelling|January 13, 2001
Three-dimensional quantitative structure-activity relationships study on HIV-1 reverse transcriptase inhibitors in the class of dipyridodiazepinone derivatives, using comparative molecular field analysisP Pungpo, S HannongbuaJournal of Molecular Graphics & Modelling|September 20, 2000
Glycosylation of prions and its effects on protein conformation relevant to amino acid mutationsN K Wong, D V Renouf, S Lehmann, et al.Journal of Molecular Graphics & Modelling|September 20, 2000
Studies on the solution conformation and dynamics of a polysaccharide from Sinorhizobium fredii HH103 and its monosaccharide repeating unitM A Rodríguez-Carvajal, M Bernabe, J L Espartero, et al.Journal of Molecular Graphics & Modelling|September 20, 2000
Investigations on the mobility of the glycosidic linkage in sucrose by study of the phase space structure of a two-degrees of freedom modelG Longhi, M Malandrino, S AbbateJournal of Molecular Graphics & Modelling|January 1, 2026
Computational insights into terpene-induced modulation of amyloid-β peptide (Aβ1-42) aggregation-favoring conformationsIverson Conrado Bezerra, Jéssika de Oliveira Viana, Jocelin Santa Rita Bisneto, et al.Journal of Molecular Graphics & Modelling|January 3, 2026
Computational studies of target-specific radiopharmaceuticals for theranosticsSilvia Gervasoni, Camilla Guccione, Giuliano MallociPageof 408