Biophysical and Computational Tools in Drug Discovery
Buch in deiner Nähe kaufen
Beschreibung
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.
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.
Reviews recent biophysical techniques used in drug discovery Outlines the most exciting advances in computational drug design Explores computational search techniques applied to peptide vaccines
Autor*in
Anil Kumar Saxena
Themen in »Biophysical and Computational Tools in Drug Discovery«
Drug Discovery and Design Biophysical Tools Structure and Ligand-based Virtual Screening Computational Drug Discovery Generative Machine Learning Herbal Drugs TR-FRET NMR X-ray Crystallography Mass Spectrometry Quantum Chemical Techniques Quantum Dynamics Structural Biology