Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design -

Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design (eBook)

Sanjeev Kumar Singh (Herausgeber)

eBook Download: PDF
2021 | 1st ed. 2021
VII, 333 Seiten
Springer Singapore (Verlag)
978-981-15-8936-2 (ISBN)
Systemvoraussetzungen
255,73 inkl. MwSt
  • Download sofort lieferbar
  • Zahlungsarten anzeigen
This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows. 
In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.



Dr. Singh is currently Professor at Department of Bioinformatics, Alagappa University, Karaikudi (TN), India. He received his graduation, post graduation and Doctoral degree in Theoretical chemistry from the CSJM University, Kanpur. Before joining Alagappa, he worked as scientist in NIPER, Mohali, Punjab and Assistant Professor, Madurai Kamaraj University, Tamil Nadu.  Prof. Singh possess extensive exposure and achieved a distinct landmark in the area of Drug Discovery and development on specific therapeutic targets of Viruses, Bacterial pathogens and Cancer. He has received 'ICMR Lala RAM Chand Kandhari Award and Fellow of BRSI Award'. He is the Secretary General of Bioinformatics and Drug Discovery Society (BIDDS), and MNASc, Member of 'The National Academy of Sciences', India and published more than 130 research articles in highly reputed journals.


This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows. In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.
Erscheint lt. Verlag 2.2.2021
Zusatzinfo VII, 333 p. 79 illus., 56 illus. in color.
Sprache englisch
Themenwelt Naturwissenschaften Biologie Biochemie
Naturwissenschaften Biologie Genetik / Molekularbiologie
Schlagworte CADD • drug design • Molecular Docking • Molecular Dynamics Simulation • Pharmacophore and QSAR • Protein-Ligand Interactions • Protein Structure • Rational drug design
ISBN-10 981-15-8936-4 / 9811589364
ISBN-13 978-981-15-8936-2 / 9789811589362
Haben Sie eine Frage zum Produkt?
PDFPDF (Wasserzeichen)
Größe: 8,8 MB

DRM: Digitales Wasserzeichen
Dieses eBook enthält ein digitales Wasser­zeichen und ist damit für Sie persona­lisiert. Bei einer missbräuch­lichen Weiter­gabe des eBooks an Dritte ist eine Rück­ver­folgung an die Quelle möglich.

Dateiformat: PDF (Portable Document Format)
Mit einem festen Seiten­layout eignet sich die PDF besonders für Fach­bücher mit Spalten, Tabellen und Abbild­ungen. Eine PDF kann auf fast allen Geräten ange­zeigt werden, ist aber für kleine Displays (Smart­phone, eReader) nur einge­schränkt geeignet.

Systemvoraussetzungen:
PC/Mac: Mit einem PC oder Mac können Sie dieses eBook lesen. Sie benötigen dafür einen PDF-Viewer - z.B. den Adobe Reader oder Adobe Digital Editions.
eReader: Dieses eBook kann mit (fast) allen eBook-Readern gelesen werden. Mit dem amazon-Kindle ist es aber nicht kompatibel.
Smartphone/Tablet: Egal ob Apple oder Android, dieses eBook können Sie lesen. Sie benötigen dafür einen PDF-Viewer - z.B. die kostenlose Adobe Digital Editions-App.

Buying eBooks from abroad
For tax law reasons we can sell eBooks just within Germany and Switzerland. Regrettably we cannot fulfill eBook-orders from other countries.

Mehr entdecken
aus dem Bereich

von Donald Voet; Judith G. Voet; Charlotte W. Pratt

eBook Download (2019)
Wiley-VCH Verlag GmbH & Co. KGaA
73,99

von Donald Voet; Judith G. Voet; Charlotte W. Pratt

eBook Download (2019)
Wiley-VCH Verlag GmbH & Co. KGaA
73,99