ENGLISH

Computational Drug Discovery: Molecular Simulation for Medicinal Chemistry, Volume 1

By Muralikrishnan Dhanasekaran , Kamal Dua , Pooja A. Chawla , Dilpreet Singh , Viney Chawla

Book information

Publisher
de Gruyter
Year
2024
ISBN
9783111206691, 9783111207117, 9783111207599
Language
english
Format
PDF
Filesize
98 MB (103197086 bytes)
Series
Computational Drug Discovery
Volume
1
Pages
440\440
Orientation
portrait
Paginated
yes
Scanned
no
Time added
2024-10-01 14:15:25

Description

Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics

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