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Mostafa Jamalan, Majid Zeinali and Ebrahim Barzegari Asadabadi Design of Peptidomimetics for Inhibition of HER2 Receptor Dimerization by a Combination of Virtual Screening, MD Simulations, and QSAR In Silico Methods Chemical Biology & Drug Design 81

Article first published online: 28 MAR 2013 | DOI: 10.1111/cbdd.12062

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Different in silico approaches including virtual screening, molecular docking, QSARs and molecular dynamic simulations are applied for conducting a thorough mechanistic study on the inhibition of Her2 domain IV dimerization, with the purpose of proposing guidelines to design effective peptidomimetic inhibitory compounds against this domain.

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