Biophysical and Computational Tools in Drug Discovery

Biophysical and Computational Tools in Drug Discovery

Author: Anil Kumar Saxena

Publisher: Springer Nature

ISBN: 9783030852818

Category: Science

Page: 402

View: 485

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This book reviews recent physicochemical and biophysical techniques applied in drug discovery research, and it outlines the latest advances in computational drug design. Divided into 10 chapters, the book discusses about the role of structural biology in drug discovery, and offers useful application cases of several biophysical and computational methods, including time-resolved fluorometry (TRF) with Förster resonance energy transfer (FRET), X-Ray crystallography, nuclear magnetic resonance spectroscopy, mass spectroscopy, generative machine learning for inverse molecular design, quantum mechanics/molecular mechanics (QM/MM,ONIOM) and quantum molecular dynamics (QMT) methods. Particular attention is given to computational search techniques applied to peptide vaccines using novel mathematical descriptors and structure and ligand-based virtual screening techniques in drug discovery research. Given its scope, the book is a valuable resource for students, researchers and professionals from pharmaceutical industry interested in drug design and discovery.
Biophysical and Computational Tools in Drug Discovery
Language: en
Pages: 402
Authors: Anil Kumar Saxena
Categories: Science
Type: BOOK - Published: 2021-10-18 - Publisher: Springer Nature

This book reviews recent physicochemical and biophysical techniques applied in drug discovery research, and it outlines the latest advances in computational drug design. Divided into 10 chapters, the book discusses about the role of structural biology in drug discovery, and offers useful application cases of several biophysical and computational methods,
Structural Biology in Drug Discovery
Language: en
Pages: 688
Authors: Jean-Paul Renaud
Categories: Medical
Type: BOOK - Published: 2020-01-09 - Publisher: John Wiley & Sons

With the most comprehensive and up-to-date overview of structure-based drug discovery covering both experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. Coverage includes successful examples, academic and
Biophysical Techniques in Drug Discovery
Language: en
Pages: 320
Authors: Angeles Canales
Categories: Medical
Type: BOOK - Published: 2017-11-20 - Publisher: Royal Society of Chemistry

Biophysical techniques are used in many key stages of the drug discovery process including in screening for new receptor ligands, in characterising drug mechanisms, and in validating data from biochemical and cellular assays. This book provides an overview of the biophysical methods applied in drug discovery today, including traditional techniques
Applied Biophysics for Drug Discovery
Language: en
Pages: 312
Authors: Donald Huddler, Edward R. Zartler
Categories: Science
Type: BOOK - Published: 2017-07-14 - Publisher: John Wiley & Sons

Applied Biophysics for Drug Discovery is a guide to new techniques and approaches to identifying and characterizing small molecules in early drug discovery. Biophysical methods are reasserting their utility in drug discovery and through a combination of the rise of fragment-based drug discovery and an increased focus on more nuanced
Contemporary Accounts in Drug Discovery and Development
Language: en
Pages: 480
Authors: Xianhai Huang, Robert G. Aslanian, Wayne H. Tang
Categories: Medical
Type: BOOK - Published: 2022-03-29 - Publisher: John Wiley & Sons

CONTEMPORARY ACCOUNTS IN DRUG DISCOVERY AND DEVELOPMENT A useful guide for medicinal chemists and pharmaceutical scientists Drug discovery is a lengthy and complex process that typically involves identifying an unmet medical need, determining a biological target, chemical library screening to identify a lead, chemical optimization, preclinical studies and clinical trials.