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Journal of Molecular Graphics & Modelling|August 18, 2015
Nonlinear optical properties of rhenium(I) complexes: Influence of the extended π-conjugated connectors and proton abstractionHai-Ling Yu, Bo Hong, Ning Yang, et al.Journal of Molecular Graphics & Modelling|August 18, 2015
Identification of novel allosteric modulator binding sites in NMDA receptors: A molecular modeling studyLucas T Kane, Blaise M CostaJournal of Molecular Graphics & Modelling|July 26, 2015
Geometric rules of channel gating inferred from computational models of the P2X receptor transmembrane domainGuo-Hua LiJournal of Molecular Graphics & Modelling|May 1, 2016
Docking, QM/MM, and molecular dynamics simulations of the hexose transporter from Plasmodium falciparum (PfHT)Amanda Luisa da Fonseca, Renata Rachide Nunes, Vanildo Martins Lima Braga, et al.Journal of Molecular Graphics & Modelling|February 21, 2016
Conformational changes of Aβ (1-42) monomers in different solventsMyeongsang Lee, Hyun Joon Chang, Jung Yeon Park, et al.Journal of Molecular Graphics & Modelling|February 22, 2016
Computational studies on receptor-ligand interactions between novel buffalo (Bubalus bubalis) nucleotide-binding oligomerization domain-containing protein 2 (NOD2) variants and muramyl dipeptide (MDP)Biswajit Brahma, Mahesh Chandra Patra, Purusottam Mishra, et al.Journal of Molecular Graphics & Modelling|May 26, 2012
Identification of a mechanism of transformation of clathrate hydrate structures I to II or HShuzo YoshiokiJournal of Molecular Graphics & Modelling|May 25, 2012
Pharmacophore identification, docking and "in silico" screening for novel CDK1 inhibitorsXiaowu Dong, Jingying Yan, Lilin Du, et al.Journal of Molecular Graphics & Modelling|December 30, 2014
Structural basis for cooperative binding of azoles to CYP2E1 as interpreted through guided molecular dynamics simulationsJoseph W Levy, Jessica H Hartman, Martin D Perry, et al.Journal of Molecular Graphics & Modelling|December 27, 2014
Cloning and molecular modeling of a thermostable carboxylesterase from the chicken uropygial glandsAhmed Fendri, Fakher Frikha, Hanen Louati, et al.Pageof 400