Computer Aided Drug Discovery (106 results)
Published by U.S. Department of Health and Human Services, Rockville, MD, 1993
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Taschenbuch. Condition: Neu. Neuware - Drug discovery has evolved from empirical experimentation into a data-driven, computation-intensive discipline, yet challenges of high attrition, rising costs, and translational failure persist. Addressing this complexity demands a mechanistic and predictive approach to molecular design.Com…puter-Aided Drug Design: Principles, Methods, and Applications in Drug Discovery presents a rigorous and integrated framework for modern CADD, encompassing molecular modeling, QSAR, docking, molecular dynamics, virtual screening, pharmacophore modeling, and fragment-based design. Rather than isolating techniques, the text connects algorithms, physicochemical principles, and biological systems to explain how computational methods guide rational drug development .Designed for postgraduate pharmacy students, doctoral researchers, and professionals, the book delivers conceptual clarity and algorithmic understanding while supporting structured academic responses and practical workflow competence.Its distinguishing strength lies in mechanistic depth and decision-focused reasoning-each method is examined in terms of its assumptions, parameter sensitivity, and real-world applicability, bridging computational prediction with pharmaceutical relevance.As drug discovery increasingly integrates artificial intelligence and large-scale data, this work provides a clear intellectual pathway to navigate and advance the future of rational therapeutic design.
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Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the met…hods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested.Practical and thorough, Computer-Aided Drug Discovery serves as an ideal addition to theMethods in Pharmacology and Toxicology series, guiding researchers toward their lab's goals with this exciting and versatile technology.
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Condition: New. 1st ed. 2022 edition NO-PA16APR2015-KAP.
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