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Journal of Molecular Modeling|February 11, 2014
Structure and electronic properties of azadirachtinElton A S de Castro, Daniel A B de Oliveira, Sergio A S Farias, et al.Journal of Molecular Modeling|February 26, 2014
The influence of anharmonic and solvent effects on the theoretical vibrational spectra of the guanine-cytosine base pairs in Watson-Crick and Hoogsteen configurationsAttila Bende, Cristina M MunteanJournal of Molecular Modeling|February 26, 2014
ReaxFF molecular dynamics simulations of the initial pyrolysis mechanism of unsaturated triglycerideZhiqiang Zhang, Kefeng Yan, Jilong ZhangJournal of Molecular Modeling|February 26, 2014
A theoretical study on ascorbic acid dissociation in water clustersEugeniy Demianenko, Mykola Ilchenko, Anatoliy Grebenyuk, et al.Journal of Molecular Modeling|February 26, 2014
Quantum chemical DFT study of the interaction between molecular oxygen and FeN₄ complexes, and effect of the macrocyclic ligandAdilson Luís Pereira Silva, Luciano Farias de Almeida, Aldaléa Lopes Brandes Marques, et al.Journal of Molecular Modeling|February 26, 2014
Encapsulation of alkyl and aryl derivatives of quaternary ammonium cations within cucurbit[n]uril (n = 6,7) and their inverted diastereomers: density functional investigationsIshita A Raja, Vivekanand V Gobre, Rahul V Pinjari, et al.Journal of Molecular Modeling|February 26, 2014
Effect of protonation and hydrogen bonding on 2, 4, 6-substituted pyrimidine and its salt complex-experimental and theoretical evidenceChithra Neelakanda Pillai, James ChellapanJournal of Molecular Modeling|February 26, 2014
3D-dynamic representation of DNA sequencesPiotr Wąż, Dorota Bielińska-WążJournal of Molecular Modeling|February 27, 2014
In silico analysis on structure and DNA binding mode of AtNAC1, a NAC transcription factor from Arabidopsis thalianaQiankun Zhu, Jiaxin Zou, Mengli Zhu, et al.Journal of Molecular Modeling|February 28, 2014
Density functional theory and molecular dynamics study of the uranyl ion (UO₂)²⁺Nicolás Rodríguez-Jeangros, Jorge M SeminarioPageof 708