Computational and Structural Approaches to Drug Discovery

Computational and Structural Approaches to Drug Discovery
Title Computational and Structural Approaches to Drug Discovery PDF eBook
Author Robert M. Stroud
Publisher Royal Society of Chemistry
Pages 171
Release 2008
Genre Medical
ISBN 0854043659

Download Computational and Structural Approaches to Drug Discovery Book in PDF, Epub and Kindle

This insightful book represents the experience and understanding of the global experts in the field and spotlights both the structural and medicinal chemistry aspects of drug design. The need to 'encode' the physiological factors of pharmacology, a key area, is explored.

Structural Biology in Drug Discovery

Structural Biology in Drug Discovery
Title Structural Biology in Drug Discovery PDF eBook
Author Jean-Paul Renaud
Publisher John Wiley & Sons
Pages 1437
Release 2020-01-09
Genre Medical
ISBN 1118900502

Download Structural Biology in Drug Discovery Book in PDF, Epub and Kindle

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 industry insights, novel concepts, and advances in a rapidly evolving field. The combined chapters, by authors writing from the frontlines of structural biology and drug discovery, give readers a valuable reference and resource that: Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology Includes detailed chapters on druggability, allostery, complementary use of thermodynamic and kinetic information, and powerful approaches such as structural chemogenomics and fragment-based drug design Emphasizes the need for the in-depth biophysical characterization of protein targets as well as of therapeutic proteins, and for a thorough quality assessment of experimental structures Illustrates advances in the field of established therapeutic targets like kinases, serine proteinases, GPCRs, and epigenetic proteins, and of more challenging ones like protein-protein interactions and intrinsically disordered proteins

Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics

Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics
Title Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics PDF eBook
Author Marco Tutone
Publisher
Pages 387
Release 2021
Genre
ISBN 9783036527789

Download Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics Book in PDF, Epub and Kindle

This book is a collection of original research articles in the field of computer-aided drug design. It reports the use of current and validated computational approaches applied to drug discovery as well as the development of new computational tools to identify new and more potent drugs.

Drug Design

Drug Design
Title Drug Design PDF eBook
Author Kenneth M. Merz
Publisher Cambridge University Press
Pages 289
Release 2010-05-31
Genre Medical
ISBN 0521887232

Download Drug Design Book in PDF, Epub and Kindle

This book provides a complete snapshot of various experimental approaches to structure-based and ligand-based drug design and is illustrated with more than 200 images.

Biophysical and Computational Tools in Drug Discovery

Biophysical and Computational Tools in Drug Discovery
Title Biophysical and Computational Tools in Drug Discovery PDF eBook
Author Anil Kumar Saxena
Publisher Springer Nature
Pages 405
Release 2021-10-18
Genre Science
ISBN 3030852814

Download Biophysical and Computational Tools in Drug Discovery Book in PDF, Epub and Kindle

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.

Physico-chemical and Computational Approaches to Drug Discovery

Physico-chemical and Computational Approaches to Drug Discovery
Title Physico-chemical and Computational Approaches to Drug Discovery PDF eBook
Author Javier Luque
Publisher Royal Society of Chemistry
Pages 443
Release 2012
Genre Medical
ISBN 1849733538

Download Physico-chemical and Computational Approaches to Drug Discovery Book in PDF, Epub and Kindle

This title covers a wide range of topics relevant to the development of drugs. It provides a comprehensive description of the major methodological strategies available for rational drug discovery.

Computational Structural Biology

Computational Structural Biology
Title Computational Structural Biology PDF eBook
Author Torsten Schwede
Publisher World Scientific
Pages 790
Release 2008
Genre Science
ISBN 9812778780

Download Computational Structural Biology Book in PDF, Epub and Kindle

This is a comprehensive introduction to Landau-Lifshitz equations and Landau-Lifshitz-Maxwell equations, beginning with the work by Yulin Zhou and Boling Guo in the early 1980s and including most of the work done by this Chinese group led by Zhou and Guo since. The book focuses on aspects such as the existence of weak solutions in multi dimensions, existence and uniqueness of smooth solutions in one dimension, relations with harmonic map heat flows, partial regularity and long time behaviors. The book is a valuable reference book for those who are interested in partial differential equations, geometric analysis and mathematical physics. It may also be used as an advanced textbook by graduate students in these fields.