Coupling Supervised Molecular Dynamics (SuMD) with Entropy Estimations To Shine Light on the Stability of Multiple Binding Sites
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چکیده
منابع مشابه
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putative binding sites of dopamine and arachidonoyl dopamine to beta-lactoglobulin: a molecular docking and molecular dynamics study
because of participation in many aspects of human life, and due to oxidation-sensitive characteristics of dopamine (da) and arachidonoyl dopamine (aa-da), the necessity of biocompatible carrier to keep them against oxidation is of importance. in this work, we explored the putative binding sites of da and aa-da to -lactoglobulin (blg) as potent carrier. docking results identified the binding si...
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ژورنال
عنوان ژورنال: ACS Medicinal Chemistry Letters
سال: 2019
ISSN: 1948-5875,1948-5875
DOI: 10.1021/acsmedchemlett.8b00490