Overview

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets. Additionally, it discusses data retrieval system, molecular surfaces, and freeware and online servers. The book is a valuable source for graduate students and researchers on bioinformatics, molecular modeling, biotechnology and several members of biomedical field who need to understand more about computer-aided molecular modeling.

Full Product Details

Author:   Om Silakari (Assistant Professor, Department of Pharmaceutical Sciences and Drug Research, Punjab University, India) ,  Pankaj Kumar Singh, PhD. (Senior Research Fellow, Punjabi University, Patiala, Punjab, India)
Publisher:   Elsevier Science Publishing Co Inc
Imprint:   Academic Press Inc
Weight:   0.790kg
ISBN:  

9780128205464

ISBN 10:   0128205466
Pages:   396
Publication Date:   11 November 2020
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   Manufactured on demand  
We will order this item for you from a manufactured on demand supplier.

Table of Contents

1. Fundamentals of molecular modeling 2. Descriptor calculations for QSAR models 3. Development of Hansch models and their validation 4. QSAR model generation using Free Wilson approach 5. QSAR model generation using mixed approach 6. Exploration of protein databases for the selection and analysis of protein structure 7. Utilization of protein sequence alignment tools 8. Preparation of Homology modelled protein structures 9. Molecular docking analysis for drug-receptor interactions 10. 3D QSAR analysis 11. Pharmacophore modeling for drug targets 12. Molecular Dynamic simulations 13. Data retrieval system 14. Molecular surfaces 15. Freewares and Online servers

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Author Information

Dr. Om Silakari is an assistant professor in the Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, India. He received his Ph.D. degree from Dr. Hari Singh Gour University, India and has been teaching and researching in this area for over 10 years. His research areas include computer-assisted drug designing (CADD) of new anti-inflammatory, antidiabetic and anticancer targets, and the synthesis of new lead molecules. In addition to supervising multiple M. Pharm. and PhD students, he has authored two books and published over 60 papers in international journals. Dr Silakari is an active reviewer for many international journals, has been awarded funding for several research projects, and regularly delivers talks at both national and international conferences. Pankaj Kumar Singh, PhD, is senior research fellow at Punjabi University, India. He received his PhD degree on bioinformatics at the same institution. His research interests are computer-based modelling of molecules, with focus on developing models to study how synthetic molecules interact with cancer cells.

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