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Computational Systems Biology for New Chemical Entities Bioprospection

Computational Systems Biology for New Chemical Entities Bioprospection

Hardcover

Technology & Engineering

ISBN10: 1041083815
ISBN13: 9781041083818
Publisher: CRC Press
Published: Sep 11 2026
Pages: 528
Weight: 2.53
Height: 1.19 Width: 7.00 Depth: 10.00
Language: English

This book presents applications of metabolomics and integrated computational systems modeling in the bioprospecting of novel chemical entities (NCEs) and active pharmaceutical ingredients (APIs) from diverse natural sources. It bridges the gap between basic computational skills and advanced software development. The volume comprises original research articles, experimental protocols, case studies, and comprehensive reviews on computational approaches, including targeted and untargeted metabolomics, network pharmacology, molecular docking, density functional theory, and advanced molecular dynamics simulations, among others. It also covers:

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