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Journal of Molecular Modeling|October 8, 2015
Artocarpus altilis CG-901 alters critical nodes in the JH1-kinase domain of Janus kinase 2 affecting upstream JAK/STAT3 signalingOyekanmi Nash, Olaposi Omotuyi, Joonku Lee, et al.Journal of Molecular Modeling|October 10, 2015
New insights into the effects of alloying Pt with Ni on oxygen reduction reaction mechanisms in acid medium: a first-principles studyLi-Hui OuJournal of Molecular Modeling|October 10, 2015
Ligand similarity guided receptor selection enhances docking accuracy and recall for non-nucleoside HIV reverse transcriptase inhibitorsRichard A Stanton, James H Nettles, Raymond F SchinaziJournal of Molecular Modeling|October 11, 2015
Towards predictive docking at aminergic G-protein coupled receptorsJan Jakubík, Esam E El-Fakahany, Vladimír DoležalJournal of Molecular Modeling|September 13, 2015
Second hyperpolarizability of delta shaped disubstituted acetylene complexes of beryllium, magnesium, and calciumKaushik Hatua, Prasanta K NandiJournal of Molecular Modeling|October 31, 2015
Improving protein-ligand docking with flexible interfacial water molecules using SWRosettaLigandLinqing Li, Weiwei Xu, Qiang LüJournal of Molecular Modeling|October 27, 2015
Unraveling the performance of dispersion-corrected functionals for the accurate description of weakly bound natural polyphenolsFlorent Di Meo, Imene Bayach, Patrick Trouillas, et al.Journal of Molecular Modeling|November 8, 2015
Nonlinear optical behavior of Li n F (n = 2-5) superalkali clustersAmbrish Kumar Srivastava, Neeraj MisraJournal of Molecular Modeling|January 22, 2016
On the elastic properties of single-walled carbon nanotubes/poly(ethylene oxide) nanocomposites using molecular dynamics simulationsS Rouhi, Y Alizadeh, R AnsariJournal of Molecular Modeling|January 28, 2016
Theoretical study of enzymatically catalyzed tautomerization of carbon acids in aqueous solution: quantum calculations and steered molecular dynamics simulationsSantiago Tolosa, Antonio Hidalgo, Jorge A SansónPageof 699