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Journal of Molecular Graphics & Modelling|August 6, 2013
Crystal structure, stability and spectroscopic properties of methane and CO2 hydratesRuben Martos-Villa, Misaela Francisco-Márquez, M Pilar Mata, et al.Journal of Molecular Graphics & Modelling|June 5, 2013
Theoretical study on the proton shuttle mechanism of saccharopine dehydrogenaseXiang Sheng, Jun Gao, Yongjun Liu, et al.Journal of Molecular Graphics & Modelling|June 5, 2013
TDDFT studies on electronic structures, chiroptical properties and solvent effect on the CD spectra of diphosphonate-functionalized polyoxomolybdatesYuan-Mei Sang, Li-Kai Yan, Jian-Ping Wang, et al.Journal of Molecular Graphics & Modelling|May 21, 2013
3D shape-based analysis of cell line-specific compound response in cancersNingning He, Xiaoqi Wang, Nayoung Kim, et al.Journal of Molecular Graphics & Modelling|July 9, 2013
Interactions of acetylcholine binding site residues contributing to nicotinic acetylcholine receptor gating: role of residues Y93, Y190, K145 and D200Prema L Mallipeddi, Steen E Pedersen, James M BriggsJournal of Molecular Graphics & Modelling|July 10, 2013
Modeling of multifunctional donor-bridge-acceptor 4,6-di(thiophen-2-yl)pyrimidine derivatives: a first principles studyAhmad Irfan, Abdullah G Al-Sehemi, Mohammad Sultan Al-AssiriJournal of Molecular Graphics & Modelling|July 2, 2013
Hybrid density functional based study on the band structure of trioctahedral mica and its dependence on the variation of Fe(2+) contentV Timón, C S Praveen, E Escamilla-Roa, et al.Journal of Molecular Graphics & Modelling|March 19, 2013
3D-QSAR studies of azaoxoisoaporphine, oxoaporphine, and oxoisoaporphine derivatives as anti-AChE and anti-AD agents by the CoMFA methodYan-Ping Li, Xiang Weng, Fang-Xian Ning, et al.Journal of Molecular Graphics & Modelling|March 19, 2013
Molecular dynamic simulation of mGluR5 amino terminal domain: essential dynamics analysis captures the agonist or antagonist behaviour of ligandsAlessandro Casoni, Francesca Clerici, Alessandro ContiniJournal of Molecular Graphics & Modelling|March 19, 2013
Third-order nonlinear optical properties of molecules containing aromatic diimides: effects of the aromatic core size and a redox-switchable modificationYong-Qing Qiu, Zhuo Li, Na-Na Ma, et al.Pageof 407