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Molecular modeling and docking techniques for drug discovery and design

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Molecular modeling and docking techniques for drug discovery and design/ Ajmal Rashid Bhat, Sumeer Ahmed, S. M. Abe Kawsar, editors.
other author:	Kawsar, S. M. Abe,
Published:	Hershey, Pennsylvania :IGI Global Scientific Publishing, : 2025.,
Description:	1 online resource (xxii, 668 p.)
Subject:	Molecular pharmacology - Computer simulation. -
Online resource:	http://services.igi-global.com/resolvedoi/resolve.aspx?doi=10.4018/979-8-3693-5598-5
ISBN:	9798369355992

Molecular modeling and docking techniques for drug discovery and design
Molecular modeling and docking techniques for drug discovery and design[electronic resource] /Ajmal Rashid Bhat, Sumeer Ahmed, S. M. Abe Kawsar, editors. - Hershey, Pennsylvania :IGI Global Scientific Publishing,2025. - 1 online resource (xxii, 668 p.)

Includes bibliographic references and index.

Foreword -- Preface -- Acknowledgment -- Chapter 1. Advanced Strategies in Quantitative Structure Activity Relationship (QSAR) Modeling: Methods, Applications, and Future Directions -- Chapter 2. Challenges and Future Prospects in the Field of Computational Chemistry -- Chapter 3. Chemoinformatics and Molecular Descriptors: Exploring the Molecular Space via Chemo-Informatics and Comprehending the Role of Molecular Description -- Chapter 4. Computational Approaches in Drug Design -- Chapter 5. Computational Innovations in Molecular Docking Unveiling Therapeutic Potential -- Chapter 6. Computational Theories Shaping the Future of Drug Discovery: Significance of Computer-Aided Drug Discovery -- Chapter 7. Computational Tools and Software in Drug Discovery -- Chapter 8. Designing Pharmaceuticals Through Ligand-Centric Approaches -- Chapter 9. Drug Repurposing Through Molecular Docking -- Chapter 10. Efficiency in Medicinal Chemistry via Computational Chemistry -- Chapter 11. Enhancing the Efficiency of Medicinal Chemistry Through Computational Chemistry -- Chapter 12. Molecular Docking: Aiming for a Perfect Fit -- Chapter 13. Molecular Docking: A Computational Approach Streamlining Drug Design -- Chapter 14. Molecular Docking Analysis -- Chapter 15. Structure-Based Drug Discovery -- Chapter 16. The Technological Leap in Drug Discovery With Cutting-Edge Solutions -- Chapter 17. Trends of Pharmacophore Modelling inDrug Discovery -- Compilation of References -- About the Contributors -- Index.

"This book endeavours to offer an in-depth understanding of molecular modelling and docking strategies in drug discovery and design"--

Mode of access: World Wide Web.

ISBN: 9798369355992Subjects--Topical Terms:

1498718
Molecular pharmacology
--Computer simulation.Subjects--Index Terms:

Biopharmaceutics and Drug Disposition.Index Terms--Genre/Form:

554714
Electronic books.

LC Class. No.: RM301.65 / .M634 2025eb

Dewey Class. No.: 615.1/9

National Library of Medicine Call No.: QV 13 / .M634 2025eb

Molecular modeling and docking techniques for drug discovery and design
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300 $a 1 online resource (xxii, 668 p.)
504 $a Includes bibliographic references and index.
505 0 $a Foreword -- Preface -- Acknowledgment -- Chapter 1. Advanced Strategies in Quantitative Structure Activity Relationship (QSAR) Modeling: Methods, Applications, and Future Directions -- Chapter 2. Challenges and Future Prospects in the Field of Computational Chemistry -- Chapter 3. Chemoinformatics and Molecular Descriptors: Exploring the Molecular Space via Chemo-Informatics and Comprehending the Role of Molecular Description -- Chapter 4. Computational Approaches in Drug Design -- Chapter 5. Computational Innovations in Molecular Docking Unveiling Therapeutic Potential -- Chapter 6. Computational Theories Shaping the Future of Drug Discovery: Significance of Computer-Aided Drug Discovery -- Chapter 7. Computational Tools and Software in Drug Discovery -- Chapter 8. Designing Pharmaceuticals Through Ligand-Centric Approaches -- Chapter 9. Drug Repurposing Through Molecular Docking -- Chapter 10. Efficiency in Medicinal Chemistry via Computational Chemistry -- Chapter 11. Enhancing the Efficiency of Medicinal Chemistry Through Computational Chemistry -- Chapter 12. Molecular Docking: Aiming for a Perfect Fit -- Chapter 13. Molecular Docking: A Computational Approach Streamlining Drug Design -- Chapter 14. Molecular Docking Analysis -- Chapter 15. Structure-Based Drug Discovery -- Chapter 16. The Technological Leap in Drug Discovery With Cutting-Edge Solutions -- Chapter 17. Trends of Pharmacophore Modelling inDrug Discovery -- Compilation of References -- About the Contributors -- Index.
520 3 $a "This book endeavours to offer an in-depth understanding of molecular modelling and docking strategies in drug discovery and design"-- $c Provided by publisher.
538 $a Mode of access: World Wide Web.
650 0 $a Molecular pharmacology $x Computer simulation. $3 1498718
650 0 $a Molecular association $x Computer simulation. $3 1498719
650 0 $a Drug development $x Data processing. $3 964848
650 0 $a Drugs $x Computer-aided design. $3 1405552
650 0 $a Molecules $x Models $x Industrial applications. $3 1498720
650 2 $a Pharmaceutical Preparations $x standards. $3 582024
650 2 $a Molecular Biology. $3 599552
653 $a Biopharmaceutics and Drug Disposition.
653 $a Chemo-Informatics and Molecular Descriptors.
653 $a Computational Approaches of Design Discovery.
653 $a Computational Chemistry.
653 $a Computational Tools and Software.
653 $a Concept and Applications of POM Theory.
653 $a DFT Approach for Drug Discovery and Design.
653 $a Development Of Computer-Aided Prediction Models.
653 $a Dynamic Simulation Modeling (DMS) Approach in Pharmaceutical Engineering.
653 $a Efficiency In Medicinal Chemistry.
653 $a In Silico ADME Modeling Progress and Prospects.
653 $a Ligand-Based Drug Design.
653 $a Modern Approach to Drug Design.
653 $a Molecular Docking.
653 $a Pharmacophore Modeling.
655 4 $a Electronic books. $2 local $3 554714
700 1 $a Kawsar, S. M. Abe, $d 1972- $3 1498715
700 1 $a Ahmed, Sumeer, $d 1996- $3 1498716
700 1 $a Bhat, Ajmal $d 1987- $3 1498717
710 2 $a IGI Global. $3 805187
776 0 8 $i Print version: $z 9798369355985
856 4 0 $u http://services.igi-global.com/resolvedoi/resolve.aspx?doi=10.4018/979-8-3693-5598-5