Computational Drug Discovery and Design

lt;p>1. Computer-Aided Drug Discovery and Design - Recent Advances and Future Prospects

Alan Talevi

2. Virtual Screening Process - A Guide in Modern Drug Designing

Umesh Panwar, Aarthy Murali, Mohammad Aqueel Khan, Chandrabose Selvaraj, and Sanjeev Kumar Singh

3. Molecular dynamics as a tool for virtual ligand screening

Grégory Menchon, Laurent Maveyraud^, and Georges Czaplicki

4. Antiviral Drug Target Identification and Ligand Discovery

Hershna Patel and Dipankar Sengupta

5. GRAMM webserver for protein docking

Amar Singh, Matthew M. Copeland, Petras J. Kundrotas and Ilya A. Vakser

6. Protein-ligand blind docking using CB-Dock2

Yang Liu and Yang Cao

Sara AlRawashdah and Khaled H Barakat

8. Molecular dynamics simulation-based prediction of glycosaminoglycan interactions with drug molecules

Martyna Maszota-Zieleniak and Sergey A. Samsonov

9. Mining chemogenomic spaces for prediction of drug-target interactions

Abhigyan Nath and Radha Chaube

10. Expanding the landscape of amyloid sequences with CARs-DB: a database of polar amyloidogenic peptides from disordered proteins

Carlos Pintado-Grima, Oriol Bárcenas, and Salvador Ventura

Kushal Koirala, Keya Joshi, Victor Adediwura, Jinan Wang, Hung Do, and Yinglong Miao

Aarthy Murali, Umesh Panwar, and Sanjeev Kumar Singh

Jacob Verburgt, Anika Jain, and Daisuke Kihara

14. Techniques for Developing Reliable Machine Learning Classifiers Applied to Understanding and Predicting Protein:Protein Interaction Hot Spots

Jiaxing Chen, Leslie A. Kuhn, and Sebastian Raschka

15. AI driven enhancements in drug screening and optimisation

Adam Serghini, Stephanie Portelli, and David B. Ascher

16. Applications of big data and AI-driven technologies in CADD (computer-aided drug design)

Seongmin Seo and Jai Woo Lee

17. Artificial Intelligence in ADME Property Prediction

Vishal B. Siramshetty, Xin Xu, and Pranav Shah

18. Accelerating the discovery and design of antimicrobial peptides with artificial intelligence

Mariana d. C. Aguilera-Puga, Natalia L. Cancelarich, Mariela M. Marani, Cesar de la Fuente-Nunez, and Fabien Plisson