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Journal of Molecular Graphics & Modelling|August 20, 2017
Ligand-binding characterization of simulated β-adrenergic-like octopamine receptor in Schistocerca gregaria via progressive structure simulationHui-Meng Lu, Xiao-Li Lu, Jia-Hui Zhai, et al.Journal of Molecular Graphics & Modelling|August 22, 2017
Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TSAdam Jarmuła, Piotr Wilk, Piotr Maj, et al.Journal of Molecular Graphics & Modelling|October 21, 2017
Dynamic characteristics of a flagellar motor protein analyzed using an elastic network modelMoon-Ki Choi, Soojin Jo, Byung Ho Lee, et al.Journal of Molecular Graphics & Modelling|October 22, 2017
Effect of the solvent on the conformational behavior of the alanine dipeptide deduced from MD simulationsJaime Rubio-Martinez, M Santos Tomas, Juan J PerezJournal of Molecular Graphics & Modelling|August 13, 2017
A theoretical exploration of the effect of fluorine and cyano substitutions in diketopyrrolopyrrole-based polymer donor for organic solar cellsZhi-Wen Zhao, Qing-Qing Pan, Shuang-Bao Li, et al.Journal of Molecular Graphics & Modelling|August 13, 2017
Influence of nitrogen doping in sumanene framework toward hydrogen storage: A computational studyAdel Reisi-Vanani, Fatemeh ShamsaliJournal of Molecular Graphics & Modelling|August 30, 2017
Intermolecular hydrogen bonds between 1,4-benzoquinones and HF molecule: Synergetic effects, reduction potentials and electron affinitiesNahid Hesabi, Ali Ebrahimi, Alireza NowrooziJournal of Molecular Graphics & Modelling|September 13, 2015
Comparison of templates for homology model of ρ1 GABAC receptors: More insights to the orthosteric binding site's structure and functionalityMoawiah M Naffaa, Mary Chebib, David E Hibbs, et al.Journal of Molecular Graphics & Modelling|September 24, 2015
Conformational variation of an extreme drug resistant mutant of HIV proteaseChen-Hsiang Shen, Yu-Chung Chang, Johnson Agniswamy, et al.Journal of Molecular Graphics & Modelling|September 27, 2015
PrinCCes: Continuity-based geometric decomposition and systematic visualization of the void repertoire of proteinsGábor CzirjákPageof 401