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Titlebook: Computational Drug Discovery and Design; Mohini Gore,Umesh B. Jagtap Book 2024Latest edition The Editor(s) (if applicable) and The Author(

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978-1-0716-3443-1The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Science+Busines
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,Unentgeltlicher Unternehmensübergang, discovery, molecular dynamics (MD) allows introducing protein flexibility before or after a docking protocol, refining the structure of protein–drug complexes in the presence of water, ions, and even in membrane-like environments, describing more precisely the temporal evolution of the biological c
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Steuerplanung der Vermögensnachfolgetive method is used to quantify which features are most important for correct prediction..The resulting well-trained classifier, . can robustly predict the small subset of amino acid residues on the surface of a protein that are energetically most important for binding a protein partner: the interac
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