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ds2-5-body-sm">Directed evolution has proven to be a successful strategy for the modification of enzyme properties. 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class="ds2-5-text-link ds2-5-text-link--inline js-wsj-grid-card-view-pdf" href="https://www.academia.edu/301605/Advances_In_Computational_Protein_Design"><span class="ds2-5-text-link__content">View PDF</span><span class="material-symbols-outlined" style="font-size: 18px" translate="no">chevron_right</span></a></div></div><div class="ds-related-work--container js-wsj-grid-card" data-collection-position="6" data-entity-id="26883739" data-sort-order="default"><a class="ds-related-work--title js-wsj-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/26883739/Promiscuity_Based_Enzyme_Selection_for_Rational_Directed_Evolution_Experiments">Promiscuity-Based Enzyme Selection for Rational Directed Evolution Experiments</a><div class="ds-related-work--metadata"><a class="js-wsj-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="50822704" href="https://barc-in.academia.edu/renuminda">renu minda</a><span>, </span><a class="js-wsj-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="170641947" href="https://independent.academia.edu/SwapanBhattacharjee3">Swapan Bhattacharjee</a></div><p class="ds-related-work--abstract ds2-5-body-sm">Error-prone PCR, DNA shuffling, and saturation/cassette mutagenesis are techniques used by protein engineers to mimic the natural “evolutionary walk” that conjures new enzymes. Rational design is often critical in efforts to accelerate this “random walk” into a “resolute sprint.” Previous work by our group established a computational method for detecting active sites (CLASP) based on spatial and electrostatic properties of catalytic residues, and a method to quantify promiscuous activities in a wide range of proteins (PROMISE). Here, we describe a rational design flow (DECAAF) based on the PROMISE methodology to choose a protein which, when subjected to minimal mutations, is most likely to mirror the scaffold of a desired enzymatic function. Modeling the diversity in catalytic sites and providing precise user control to guide the search is a key goal of our implementation. 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