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Journal of Molecular Graphics & Modelling|November 8, 2015
Insight into the relationship between structure and magnetic properties in icosahedral FenPt55-n (n=0-55) nanoparticles: DFT approachMinghua Zhang, Ning Wang, Yongpeng Yang, et al.Journal of Molecular Graphics & Modelling|October 10, 2013
Multi-conformation dynamic pharmacophore modeling of the peroxisome proliferator-activated receptor γ for the discovery of novel agonistsYoung-sik Sohn, Chanin Park, Yuno Lee, et al.Journal of Molecular Graphics & Modelling|September 1, 2014
Structure and putative signaling mechanism of Protease activated receptor 2 (PAR2) - a promising target for breast cancerKavita Kumari Kakarala, Kaiser Jamil, Vinod DevarajiJournal of Molecular Graphics & Modelling|December 25, 2013
Enhancement of second-order nonlinear optical response in boron nitride nanocone: Li-doped effectWen-Yong Wang, Na-Na Ma, Cun-Huan Wang, et al.Journal of Molecular Graphics & Modelling|December 31, 2013
Insight into the structural mechanism for PKBα allosteric inhibition by molecular dynamics simulations and free energy calculationsShi-Feng Chen, Yang Cao, Shuang Han, et al.Journal of Molecular Graphics & Modelling|December 24, 2013
Theoretical investigation of the structures, stabilities, and NLO responses of calcium-doped pyridazine: alkaline-earth-based alkaline salt electridesYin-Feng Wang, Jiangen Huang, Li Jia, et al.Journal of Molecular Graphics & Modelling|December 24, 2013
Modeling the intermolecular interactions: molecular structure of N-3-hydroxyphenyl-4-methoxybenzamideSedat Karabulut, Hilmi Namli, Raif Kurtaran, et al.Journal of Molecular Graphics & Modelling|August 16, 2015
Effect of graphene oxide on the conformational transitions of amyloid beta peptide: A molecular dynamics simulation studyLokesh Baweja, Kanagasabai Balamurugan, Venkatesan Subramanian, et al.Journal of Molecular Graphics & Modelling|September 5, 2015
Inclusion complex thermodynamics: The β-cyclodextrin and sertraline complex exampleJuliana Fedoce Lopes, Clebio S Nascimento, Cleber P A Anconi, et al.Journal of Molecular Graphics & Modelling|December 30, 2014
A DFT study of the unusual substrate-assisted mechanism of Serratia marcescens chitinase B reveals the role of solvent and mutational effect on catalysisJitrayut Jitonnom, Chanchai Sattayanon, Nawee Kungwan, et al.Pageof 400