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Journal of Molecular Modeling|November 7, 2014
Conformation and dynamics of 8-Arg-vasopressin in solutionElke Haensele, Lee Banting, David C Whitley, et al.Journal of Molecular Modeling|November 7, 2014
Three model shapes of Doxorubicin for liposome encapsulationKanes Sumetpipat, Duangkamon BaowanJournal of Molecular Modeling|November 10, 2014
A computational study on the photoelectric properties of various Bi2O3 polymorphs as visible-light driven photocatalystsFang Wang, Kun Cao, Qian Zhang, et al.Journal of Molecular Modeling|October 23, 2014
Theoretical study on the properties and stabilities of complexes formed between SO4(C2v) and isostructure species of CO2, CS2, and SCOAbdolvahab Seif, Shokofeh MassahiJournal of Molecular Modeling|October 23, 2014
Computational study on the effects of substituent and heteroatom on physical properties and solar cell performance in donor-acceptor conjugated polymers based on benzodithiopheneLvyong Zhang, Wei Shen, Rongxing He, et al.Journal of Molecular Modeling|October 27, 2014
Understanding the recognition mechanisms of Zα domain of human editing enzyme ADAR1 (hZα(ADAR1)) and various Z-DNAs from molecular dynamics simulationQianqian Wang, Lanlan Li, Xiaoting Wang, et al.Journal of Molecular Modeling|October 30, 2014
Molecular dynamics simulations of the mechanical properties of monoclinic hydroxyapatiteXiang Ou, Qiang HanJournal of Molecular Modeling|November 5, 2014
Emulating structural stability of Pseudomonas mendocina lipase: in silico mutagenesis and molecular dynamics studiesParameswaran Saravanan, Vikash Kumar Dubey, Sanjukta PatraJournal of Molecular Modeling|November 5, 2014
Understanding the effects of the number of pyrazines and their positions on charge-transport properties in silylethynylated N-heteropentacenesShou-Feng Zhang, Xian-Kai Chen, Jian-Xun Fan, et al.Journal of Molecular Modeling|November 15, 2014
Discovery of novel covalent proteasome inhibitors through a combination of pharmacophore screening, covalent docking, and molecular dynamics simulationsAibo Li, Haopeng Sun, Lei Du, et al.Pageof 695