{"product_id":"9783032369161","title":"Computational Strategies for the Design of New Bioactive Molecules Drug Design Techniques","description":"\u003ch3\u003eSpringerBriefs in Molecular Science\u003c\/h3\u003e\u003ch1\u003eComputational Strategies for the Design of New Bioactive Molecules\u003c\/h1\u003e\u003ch2\u003eDrug Design Techniques\u003c\/h2\u003e\u003ch3\u003eMohammed Er-rajy | Menana Elhallaoui\u003c\/h3\u003e\u003cdiv\u003e\u003cb\u003eScience \/ Chemistry \/ Computational \u0026amp; Molecular Modeling\u003c\/b\u003e\u003c\/div\u003e\u003cbr\u003e\u003cdiv\u003e\u003cp\u003eThis book offers a comprehensive introduction to computational methods used in modern drug discovery, combining theoretical foundations with practical applications. It covers key concepts such as quantum chemistry, molecular modeling, molecular mechanics, and molecular dynamics, along with techniques for analyzing simulations. The text also explores essential drug design approaches, including various QSAR methods, molecular docking strategies, and the use of artificial intelligence and machine learning in predictive modeling. Additionally, it addresses important aspects of drug development such as physicochemical properties, pharmacokinetics, and toxicity prediction. Overall, the book provides a structured workflow and practical guidance for using computational tools in the design and optimization of bioactive molecules, making it valuable for students, researchers, and professionals in medicinal chemistry and pharmaceutical science.\u003c\/p\u003e\u003c\/div\u003e\u003cdiv\u003e\n\u003cp\u003e\u003cstrong\u003eMohammed Er-rajy \u003c\/strong\u003eholds a PhD in Applied Physical Chemistry from Sidi Mohamed Ben Abdellah University in Fez, Morocco. His academic training includes a Bachelor's degree in Physical Chemistry of Materials and a Master’s degree in Chemometrics and Chemical Analysis applied to quality management. His doctoral research focused on the design of novel bioactive molecules as potential anti-cancer agents using advanced computational techniques such as 2D\/3D-QSAR modeling, molecular docking, molecular dynamics simulations, and ADMET prediction. He has developed strong expertise in computational drug design, particularly in understanding structure–activity relationships and protein–ligand interactions. Dr. Er-rajy is experienced in the use of modern computational tools, including AutoDock and quantum chemistry methods such as Density Functional Theory (DFT), allowing him to bridge theoretical chemistry with real-world pharmaceutical applications. In addition to his research work, he is actively engaged in scientific writing and aims to contribute to the dissemination of computational methodologies in medicinal chemistry. This book reflects his academic experience and research contributions in the field of computer-aided drug design.\u003c\/p\u003e\r\n\u003cp\u003e\u003cstrong\u003eMenana Elhallaoui\u003c\/strong\u003e is a Professor in the Department of Chemistry at the Faculty of Sciences Dhar El Mahraz, Sidi Mohamed Ben Abdellah University, Fez, Morocco. She is an active researcher in computational chemistry, molecular modeling, and computer-aided drug design, with expertise in QSAR modeling, molecular docking, molecular dynamics simulations, quantum chemistry, and ADMET prediction. Her research focuses on the rational design and optimization of bioactive molecules for pharmaceutical applications. She has supervised numerous undergraduate, master's, and doctoral research projects and has authored and co-authored many scientific publications in computational chemistry and medicinal chemistry.\u003c\/p\u003e\n\u003c\/div\u003e\u003cbr\u003e\u003ctable\u003e\n\u003ctr\u003e\n\u003ctd\u003ePublication Date: \u003c\/td\u003e\n\u003ctd\u003e07 October 2026\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003ePublisher: \u003c\/td\u003e\n\u003ctd\u003eSpringer Nature Switzerland\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eImprint: \u003c\/td\u003e\n\u003ctd\u003eSpringer\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eISBN-13: \u003c\/td\u003e\n\u003ctd\u003e9783032369161\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003ctr\u003e\n\u003ctd\u003eFormat: \u003c\/td\u003e\n\u003ctd\u003ePaperback softback\u003c\/td\u003e\n\u003c\/tr\u003e\n\u003c\/table\u003e","brand":"Springer Nature Switzerland","offers":[{"title":"Default Title","offer_id":51558006620300,"sku":"9783032369161","price":53.99,"currency_code":"USD","in_stock":true}],"url":"https:\/\/lateknightbooks.com\/products\/9783032369161","provider":"Late Knight Books and Services, LLC","version":"1.0","type":"link"}