Biophysical and Computational Tools in Drug Discovery [electronic resource]

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Tác giả: Anil Kumar Saxena

Ngôn ngữ:

ISBN-13: 978-3030852818

Ký hiệu phân loại: 615.19 Pharmaceutical chemistry

Thông tin xuất bản: Cham : Springer International Publishing : Imprint: Springer, 2021.

Mô tả vật lý: VIII, 402 p. 34 illus., 20 illus. in color. , online resource.

Bộ sưu tập: Metadata2

ID: 311951

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.
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