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Journal of Molecular Modeling|March 17, 2006
Free-energy force-field three-dimensional quantitative structure-activity relationship analysis of a set of p38-mitogen activated protein kinase inhibitorsNelilma Correia Romeiro, Magaly Girão Albuquerque, Ricardo Bicca de Alencastro, et al.Journal of Molecular Modeling|February 9, 2006
Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculationsRicardo O Freire, Gerd B Rocha, Alfredo M SimasJournal of Molecular Modeling|January 18, 2006
Calculation of polyamides melting point by quantum-chemical method and BP artificial neural networksJinwei Gao, Xueye Wang, Xinliang Yu, et al.Journal of Molecular Modeling|January 13, 2006
Prediction of polyamide properties using quantum-chemical methods and BP artificial neural networksJinwei Gao, Xueye Wang, Xiaobing Li, et al.Journal of Molecular Modeling|May 21, 2008
Structural evidence for lack of inhibition of fish goose-type lysozymes by a bacterial inhibitor of lysozymePeter Kyomuhendo, Inge W Nilsen, Bjørn Olav Brandsdal, et al.Journal of Molecular Modeling|April 23, 2008
Optimization of cutting schemes for the evaluation of molecular electrostatic potentials in proteins via Moving-Domain QM/MMLochana C Menikarachchi, José A GascónJournal of Molecular Modeling|May 13, 2008
Regulatory phosphorylation of cyclin-dependent kinase 2: insights from molecular dynamics simulationsIveta Bártová, Jaroslav Koca, Michal OtyepkaJournal of Molecular Modeling|April 2, 2025
Excited-state proton transfer in the rare isoguanine-isocytosine base pair in water solutionTsvetina D Cherneva, Mina M Todorova, Rumyana I Bakalska, et al.Journal of Molecular Modeling|April 2, 2025
Effect of fabrication process parameters and graphene reinforcement on mechanical behaviour of additively manufactured AlSi10Mg alloy: A molecular dynamics simulation studySunita K Srivastava, N Rajesh MathivananJournal of Molecular Modeling|April 7, 2025
Molecular docking of Cu(II) and Zn(II) complexes for tyrosinase inhibition and drug loading on boron nitride nanotube scaffolds using Monte Carlo simulationsNajeeb Ullah, Amir Karim, Muhammad Iqbal, et al.Pageof 708