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Journal of Molecular Modeling|July 8, 2008
Computational models for the shuttling motion of the macrocycle in rotaxane-based molecular switchesPipsa Hirva, Matti Haukka, Tapani A PakkanenJournal of Molecular Modeling|December 17, 2008
DFT: a dynamic study of the interaction of ethanol and methanol with platinumIrineo Pedro Zaragoza, Roberto Salcedo, Jaime VergaraJournal of Molecular Modeling|December 17, 2008
Systematic characterization on electronic structures and spectra for a series of complexes, M(IDB)Cl2 (M = Mn, Fe, Co, Ni, Cu and Zn): a theoretical studyYanyan Zhu, Zhanfen Chen, Zijian Guo, et al.Journal of Molecular Modeling|December 17, 2008
A chemometrical study of intermolecular properties of hydrogen-bonded complexes formed by C2H4O...HX and C2H5N...HX with X = F, CN, NC, and CCHBoaz G Oliveira, Regiane C M U Araújo, Antônio B Carvalho, et al.Journal of Molecular Modeling|January 28, 2009
The effects of light-induced reduction of the photosystem II reaction centerPeter Palencar, Tatyana Prudnikova, Frantisek Vacha, et al.Journal of Molecular Modeling|January 13, 2009
Modeling the noncovalent interactions at the metabolite binding site in purine riboswitchesPurshotam Sharma, Sitansh Sharma, Mohit Chawla, et al.Journal of Molecular Modeling|July 2, 2009
Superimposition of protein structures with dynamically weighted RMSDDi Wu, Zhijun WuJournal of Molecular Modeling|June 26, 2009
Structural analysis and the effect of cyclo(His-Pro) dipeptide on neurotoxins--a dynamics and density functional theory studyAngamuthu Abiram, Ponmalai KolandaivelJournal of Molecular Modeling|July 10, 2009
Cation recognition of thiacalix[2]thianthrene and p-tert-butylthiacalix[2]thianthrene and their conformers and complexes with Zn(II), Cd(II) and Hg(II): a theoretical investigationSaowapak Kaenkaew, Ornchuree Sae-Khow, Vithaya RuangpornvisutiJournal of Molecular Modeling|August 12, 2009
Computational and QSAR study of the alkylnaphthyl ketones adsorption on silver-ion stationary phaseIgor A Levandovskiy, Tatyana E Shubina, Andrey A FokinPageof 694