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Taylor & Francis Ltd

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A comparative computational study on molecular structure, NBO analysis, multiple interactions, chemical reactivity and first hyperpolarisability of imatinib mesylate polymorphs using DFT and QTAIM approach

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Molecular Simulation, Vol. 40, Iss. 14, 2014-11 ,pp. : 1099-1112

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Genome-wide localization analysis of a complete set of Tafs reveals a specific effect of the taf1 mutation on Taf2 occupancy and provides indirect evidence for different TFIID conformations at different promoters

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DFT-based QSAR study of testosterone and its derivatives

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Conformational behavior of hyaluronan in relation to its physical properties as probed by molecular modeling

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