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Journal of Molecular Modeling|November 14, 2009
Docking of sialic acid analogues against influenza A hemagglutinin: a correlational study between experimentally measured and computationally estimated affinitiesMohammed Noor Al-qattan, Mohd Nizam MordiJournal of Molecular Modeling|January 6, 2010
QSPR modeling of thermal stability of nitroaromatic compounds: DFT vs. AM1 calculated descriptorsGuillaume Fayet, Patricia Rotureau, Laurent Joubert, et al.Journal of Molecular Modeling|January 30, 2010
Quantum chemical studies on the inhibition potentials of some Penicillin compounds for the corrosion of mild steel in 0.1 M HClNnabuk Okon Eddy, Eno E EbensoJournal of Molecular Modeling|January 14, 2010
Molecular docking and 3D-QSAR studies on beta-phenylalanine derivatives as dipeptidyl peptidase IV inhibitorsYan-Ke JiangJournal of Molecular Modeling|November 1, 2017
Pnictogen bonding in pyrazine•PnX5 (Pn = P, As, Sb and X = F, Cl, Br) complexesJindřich Fanfrlík, Wiktor Zierkiewicz, Petr Švec, et al.Journal of Molecular Modeling|November 6, 2017
Molecular dynamics analysis on axial buckling of functionalized carbon nanotubes in thermal environmentFahimeh Mehralian, Yaghoub Tadi BeniJournal of Molecular Modeling|November 22, 2017
Theoretical investigation of the safety of nitroguanidine-based PBXs containing the nonpolar desensitizing agent polytetrafluoroethyleneZhong-Qing Xue, Jing He, Jun Zhang, et al.Journal of Molecular Modeling|November 24, 2017
TCNE-modified graphene as an adsorbent for N2O molecule: a DFT studySomayeh F Rastegar, Noushin OsouleddiniJournal of Molecular Modeling|November 18, 2017
A DFT study of a set of natural dyes for organic electronicsIgo T Lima, Leonardo Sousa, Renato da S Freitas, et al.Journal of Molecular Modeling|November 11, 2017
Discovering the stacking landscape of a pyridine-pyridine systemTomasz SierańskiPageof 697