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Volume 1 Computational Drug Discovery
Molecular Simulation for Medicinal Chemistry
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Edited by:
Pooja A. Chawla
Language:
English
Published/Copyright:
2024
About this book
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
- Latest developments in computer-aided drug design.
- Identification of molecular targets to fight drug Resistance.
- Case studies.
- Excellent read for researchers and students in the field of medicinal chemistry.
Author / Editor information
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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Publishing information
Pages and Images/Illustrations in book
eBook published on:
October 7, 2024
eBook ISBN:
9783111207117
Hardcover published on:
October 7, 2024
Hardcover ISBN:
9783111206691
Pages and Images/Illustrations in book
Front matter:
6
Main content:
433
Illustrations:
13
Coloured Illustrations:
69
Tables:
25
Keywords for this book
Computational Approaches; Artificial Intelligence; Machine learning; Drug Design; Medicinal Chemistry.
Audience(s) for this book
Researchers, students, R&D Scientists in medicinal chemistry.
Safety & product resources
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Manufacturer information:
Walter de Gruyter GmbH
Genthiner Straße 13
10785 Berlin
productsafety@degruyterbrill.com
