Frontiers in Computational Chemistry: Volume 6 (Paperback) (ISBN-13: 9789815036862)

Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity.

The sixth volume of this series features these six different perspectives on the application of computational chemistry in rational drug design:

1.Computer-aided molecular design in computational chemistry

2.The role of ensemble conformational sampling using molecular docking & dynamics in drug discovery

3.Molecular dynamics applied to discover antiviral agents

4.Pharmacophore modeling approach in drug discovery against the tropical infectious disease malaria

5.Advances in computational network pharmacology for Traditional Chinese Medicine (TCM) research

6.Progress in electronic-structure based computational methods: from small molecules to large molecular systems of biological significance

Author: Angela K. Wilson,Zaheer Ul-Haq
ISBN-10: 9815036866
ISBN-13: 9789815036862
Publisher: Bentham Science Publishers
Language: English
Published: 09/08/2022
Pages: 310
Format: Paperback
Weight: 1.65lbs
Size: 10.00h x 7.00w x 0.81d