Computational Drug Discovery: Molecular Simulation for Medicinal Chemistry
Pooja A. Chawla · Dilpreet Singh · Kamal Dua · Muralikrishnan Dhanasekaran · Viney Chawla
Oct 2024 · Walter de Gruyter GmbH & Co KG
Ebook
439
Pages
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About this ebook
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
About the author
P. A. Chawla, BFUHS, India; D. Singh, CU, India; K. Dua, ARCCIM, Australia; M. Dhanasekaran, AU, USA; V. Chawla, UIPSR, India.
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