CADD and informatics in drug discovery / Mithun Rudrapal, Johra Khan, editors.
Rudrapal, Mithun, editor.; Khan, Johra, editor.
2023
RM301.25
Available Online

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Title CADD and informatics in drug discovery / Mithun Rudrapal, Johra Khan, editors.
ISBN 9789819913169 (electronic bk.)
9819913160 (electronic bk.)
9819913152
9789819913152
DOI https://doi.org/10.1007/978-981-99-1316-9
Published Singapore : Springer, 2023.
Language English
Description 1 online resource (366 pages) : illustrations (black and white).
Item Number 10.1007/978-981-99-1316-9 doi
Call Number RM301.25
Dewey Decimal Classification 615.1900285
Summary This book updates knowledge on recent advances in computational and bioinformatics tools/techniques and their practical applications in modern drug design and discovery programme. Also it encompasses fundamental principles, advanced methodologies and applications of various CADD approaches including several cutting-edge areas; presenting recent developments covering ongoing trends in the field of computer-aided drug discovery. Having contributions by a global team of experts, the book is expected to be an ideal resource for drug discovery scientists, medicinal chemists, pharmacologists, toxicologists, phytochemists, biochemists, biologists, R&D personnel, researchers, students, teachers and those working in the field of drug discovery. It will fill the knowledge gaps that exist in the current CADD approaches and methodologies/ protocols being widely used in both academic and research practices. Further, a special focus on current status of various computational drug design approaches (SBDD, LBDD, De-novo drug design, Pharmacophore-based search), bioinformatics tools and databases, computational screening and modeling of phytochemicals/natural products, artificial intelligence and machine learning, and network pharmacology and system biology would certainly guide researchers, students or readers to conduct their research in the emerging area(s) of interest. It is also expected to be highly beneficial to different stakeholders working in the pharmaceutical and biotechnology industries (R&D), the academic as well as research sectors. .
Access Note Access limited to authorized users.
Source of Description Description based on print version record.
Added Author Rudrapal, Mithun, editor.
Khan, Johra, editor.
Series Interdisciplinary biotechnological advances.
Available in Other Form CADD AND INFORMATICS IN DRUG DISCOVERY.
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Chapter 1: Fundamentals of Computational Drug Design Approaches (CADD)
Chapter 2: Molecular and Computational Modeling in Drug Design
Chapter 3: Bioinformatics/Chemo-informatics Tools and Database in Drug Discovery
Chapter 4: Computational Screening of Phytochemicals/Natural Products in Drug Discovery
Chapter 5: Virtual Screening in Lead Discovery and Optimization
Chapter 6: Target-based Screening (SBDD) in Lead Discovery
Chapter 7: Pharmacophore-based and Similarity Search (LBDD) Screening in Lead Discovery
Chapter 8: Receptor-based De Novo and Fragment-based Drug Design
Chapter 9: Artificial Intelligence and Machine Learning in Drug Discovery
Chapter 10: Network Pharmacology and System Biology Approaches
Chapter 11: In Silico Pharmacology and Drug Repurposing Approaches
Chapter 12: Advances in Bioinformatics and Computational Approaches in Drug Discovery
Chapter 13: Challenges in Bioinformatics and Computational Approaches in Drug Discovery.

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