Full Description
Revolutionizing Drug Discovery: Cutting-Edge Computational Techniques is an essential guide for professionals, researchers, and students in the pharmaceutical and biotech industries, providing an in-depth look at how computational methods transform drug development. This book explores advanced tools like molecular modeling, machine learning, and AI-driven design, which accelerate drug discovery, enhance target identification, and improve clinical outcome predictions. Through real-world applications and case studies, readers gain practical insights into the benefits of computational approaches in managing data, optimizing leads, and predicting drug efficacy and safety. Emphasizing a multidisciplinary approach, it bridges chemistry, biology, and informatics, addressing both the technical and ethical dimensions of these innovations. This book is a roadmap to the future of medicine, revealing how computational advancements are reshaping the landscape of drug discovery.
Contents
1. Innovative Computational Approaches in Drug Discovery and Design
Himansu Bhusan Samal
2. Advanced Molecular Modeling of Proteins: Methods, Breakthroughs, and Future Prospects
Gatadi Srikanth
3. Predictive Cavity and Binding Site Identification: Techniques and Applications
Shilpa Chandel
4. ADMET Tools in the Digital Era: Applications and Limitations
Sonali S. Shinde, Prabhanjan Giram, Pravin S. Wakte and Sachin S. Bhusari
5. Essential Database Resources for Modern Drug Discovery
Dr. Kuldeep Vinchurkar Sr.
6. Deep Learning for Drug Design and Development
Dr. Sushanta Kumar Das, Saumendu Deb Roy, Rahul Mishra, Amit Samanta and Dibyendu Shil
7. Molecular Docking and Structure-Based Drug Design: From Theory to Practice
Manasvi Saini
8. Molecular Dynamics Simulations: Insights into Protein and Protein-Ligand Interactions
Geeta Deswal
9. Targeting Disease: Computational Approaches for Drug Target Identification
Puneet Gupta
10. High-throughput computational Screening for Lead Discovery and Development
S. Neelufar Shama
11. Harnessing Machine Learning for Rational Drug Design
Kalpana Pravin Rahate
12. Identifying Novel Drug Targets with Computational Precision
Riya Dave
13. Computational Exploration of Viral Cell Membrane Structures for Identifying Novel Therapeutic Target
Hridoy R. Bairagya
14. The Translational Impact of Bioinformatics on Traditional Wet Lab Techniques
Reshmi Ramakrishnan
15. Pharmacophore Modeling in Drug Design
Yasmin Hamid Momin
16. Emerging Horizons of AI in Pharmaceutical Research
Somnath Das
17. Integrative Computational Approaches in Pharmaceuticals: Driving Innovation in Discovery and Delivery
Nikhil Rajnani
18. Innovations in vaccine design: computational tools and techniques
Syed Tasleem Raza
19. Real-world applications of Molecular Docking in Drug Discovery
Somenath Dutta
20. Challenges and Limitations of Computer-Aided Drug Design
Souvik Sur
21. Future Prospects of AI in Drug Discovery
Mithun Bhowmick, Sabina Yasmin, Sourajyoti Goswami and Pratibha Bhowmick
