ENGLISH

Biophysical and Computational Tools in Drug Discovery (Topics in Medicinal Chemistry, 37)

By Anil Kumar Saxena (editor)

Book information

Publisher
Springer
Year
2021
ISBN
3030852806, 9783030852801
Language
english
Format
PDF
Filesize
13 MB (14114984 bytes)
Pages
410\405
Time added
2024-03-21 13:21:19

Description

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 frompharmaceutical industry interested in drug design and discovery.

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