In Silico Chemistry and Biology

In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented, including fragment- and ligand-based approaches. Many successful practical applications of these techniques are demonstrated. The authors also look to the future and describe the main challenges of the field.

Auteur

Girish Kumar Gupta, Sri Sai College of Pharmacy, Punjab, India; Mohammad Hassan Baig, Yonsei University, Republic of Korea.

Contenu

From the Content:

• Different Methods for in silico Drug Discovery

• Force Fields: Use and Applications

• Protein Modelling

• Molecular Docking and MD: Mimicking the Real Biological Process

• Ligand-based Drug Design: Recent Advancements

• Fragment-based Methods for Drug Discovery

  • Successful Applications of in silico Drug Design Processes