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Titlebook: Computational Design of Ligand Binding Proteins; Barry L. Stoddard Book 2016 Springer Science+Business Media New York 2016 ligand-binding

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https://doi.org/10.1007/BFb0091063ering laboratories willing to think beyond site saturation mutagenesis. In the common case that the exact experimental screening budget is not fixed, it is particularly helpful to perform a Pareto analysis to inspect favorable libraries at a range of possible library sizes.
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https://doi.org/10.1007/978-3-642-99124-0for constructing redox active sites with either the same (e.g., 4Cys) or mixed (e.g., 2HisCys) ligands, a feat that could be achieved in this preassembled framework. Here, we describe the process of constructing MBSs in α.D and our expression techniques.
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Reform des Direkten Steuersystems,ed the method to design peptides that discriminate with high selectivity between two closely related PDZ domains. The framework accounts for the flexibility of the peptide in the binding site, but is efficient enough to quickly analyze trade-offs between affinity and selectivity, enabling the identification of optimal peptides.
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Computational Modeling of Small Molecule Ligand Binding Interactions and Affinities,. Here, we present a standard computational protocol to evaluate the binding properties of the two enantiomers of the non-selective β-blocker propanolol in the β2 adrenergic receptor’s binding site. We describe details of our protocol, which have been successfully applied to several other targets.
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