{ "item_title" : "A Computational Framework for Linking Active-Site Dynamics to Enzyme Promiscuity", "item_author" : [" Nitya Hapani "], "item_description" : "Why do some enzymes perform only one reaction, while others quietly catalyse many? For decades, scientists have suspected that protein motion holds the answer; but attempts to link flexibility to function have remained frustratingly imprecise. This book offers a decisive shift in perspective. Rather than treating enzymes as whole, moving objects, A Computational Framework for Linking Active-Site Dynamics to Enzyme Promiscuity focuses attention where catalysis actually happens: the active site. Through large-scale molecular dynamics simulations and rigorous statistical analysis across diverse enzyme classes, the author introduces the Active-Site Flexibility Index (AFI) - a quantitative framework that isolates local dynamic tolerance within catalytic microenvironments. By demonstrating that AFI consistently outperforms traditional flexibility metrics in predicting substrate breadth, this work resolves a long-standing contradiction in computational enzymology.", "item_img_path" : "https://covers2.booksamillion.com/covers/bam/9/99/933/539/999933539X_b.jpg", "price_data" : { "retail_price" : "42.50", "online_price" : "42.50", "our_price" : "42.50", "club_price" : "42.50", "savings_pct" : "0", "savings_amt" : "0.00", "club_savings_pct" : "0", "club_savings_amt" : "0.00", "discount_pct" : "10", "store_price" : "" } }

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