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Journal of Molecular Graphics & Modelling|November 13, 2012
The C-terminal domain of the 2b protein of Cucumber mosaic virus is stabilized by divalent metal ion coordinationAkos Gellért, Katalin Nemes, Katalin Kádár, et al.Journal of Molecular Graphics & Modelling|July 26, 2020
Highlighting the effect of amyloid beta assemblies on the mechanical properties and conformational stability of cell membraneGianvito Grasso, Chiara Lionello, Filip StojceskiJournal of Molecular Graphics & Modelling|July 27, 2020
Computational reverse engineering of the lipase from Pseudomonas aeruginosa PAO1: α-helicesAdam Jo J Elatico, Ricky B NellasJournal of Molecular Graphics & Modelling|July 25, 2020
Identification of correlated inter-residue interactions in protein complex based on the fragment molecular orbital methodShigenori Tanaka, Chiduru Watanabe, Teruki Honma, et al.Journal of Molecular Graphics & Modelling|July 31, 2020
Structure based drug designing and discovery of promising lead molecules against UDP-N-acetylenolpyruvoylglucosamine reductase (MurB): A potential drug target in multi-drug resistant Acinetobacter baumanniiGizachew Muluneh Amera, Rameez Jabeer Khan, Amita Pathak, et al.Journal of Molecular Graphics & Modelling|July 21, 2020
Deeper inside the specificity of lysozyme when degrading chitosan. A structural bioinformatics studyDiana Larisa Roman, Vasile Ostafe, Adriana IsvoranJournal of Molecular Graphics & Modelling|July 13, 2020
Estimation of the ligand-binding free energy of checkpoint kinase 1 via non-equilibrium MD simulationsNguyen Thi Mai, Ngo Thi Lan, Thien Y Vu, et al.Journal of Molecular Graphics & Modelling|July 11, 2020
Phase stability, mechanical, electronic, magnetic and optical properties of tetragonal and cubic M3V (M: Pd, Pt) structuresA Trad Khodja, R Boulechfar, H Meradji, et al.Journal of Molecular Graphics & Modelling|July 14, 2020
Investigating the regio-, stereo-, and enantio-selectivities of the 1,3-dipolar cycloaddition reaction of C-cyclopropyl-N-phenylnitrone derivatives and benzylidenecyclopropane derivatives: A DFT studyGeorge Baffour Pipim, Richard Tia, Evans AdeiJournal of Molecular Graphics & Modelling|July 14, 2020
Type and size effect of functional groups on the novel antifolate target recognition folate receptors α and β: Docking, molecular dynamics and MM/PBSA studyYue Jiang, Cuihong Wang, Meiling Zhang, et al.Pageof 407