Computational Drug Discovery and Delivery - Volume 1: Computational Drug Discovery - Molecular Simulation for Medicinal Chemistry

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.

Product details

• Assisted by: Pooja A. Chawla (Editor), Viney Chawla (Editor), Muralikrishnan Dhanasekaran (Editor), Kamal Dua (Editor), Kamal Dua et al (Editor), Dilpreet Singh (Editor)
• Publisher: De Gruyter
• Languages: English
• Product format: Hardback
• Released: 01.10.2024
• EAN: 9783111206691
• ISBN: 978-3-11-120669-1
• No. of pages: 433
• Weight: 840 g
• Illustrations: 13 b/w and 69 col. ill., 25 b/w tbl.
• Set: Computational Drug Discovery and Delivery
• Series: Computational Drug Discovery and Delivery
• Subjects: Natural sciences, medicine, IT, technology > Technology > Chemical engineering; Technische Chemie, machine learning, Artificial Intelligence, Pharmazeutische Chemie und Technologie, chemistry, Materials science, Quantum & theoretical chemistry, Pharmaceutical technology, Medical bioinformatics, SCI013060 SCIENCE / Chemistry / Industrial & Technical, COM004000 COMPUTERS / Intelligence (AI) & Semantics, TEC072000 TECHNOLOGY & ENGINEERING / Pharmaceutical, SCI102000 SCIENCE / Bioinformatics, Computational Approaches, Medicinal Chemistry., Drug Design