This book discusses a broad range of basic and advanced topics in protein sciences including protein structure, function folding, flexibility, and dynamics. Starting with a basic introduction to protein purification, estimation, storage, and its effects on protein structure, function and dynamics, it subsequently provides computational insights into the effect of single nucleotide polymorphism on the protein structure, function, and enzyme activity. It also examines the potential role of structurally distinct amino acids in modulating the structure and function of proteins. In addition, the book explores the computational modeling of protein structure for applications in drug design. Lastly, it discusses the molecular principles of protein-protein interactions and dynamics towards target identification in drug discovery. As such, it offers a valuable resource for researchers seeking to enhance their understanding of protein structure and function, as well as drug design.

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Dr. Dev Bukhsh Singh is an Assistant Professor at the Department of Biotechnology, Chhatrapati Shahu Ji Maharaj University, India. He received his Ph.D. in Biotechnology from Gautam Buddha University, India, after completing his B.Sc. and M.Sc. degrees at the University of Allahabad, Prayagraj, and M.Tech. in Bioinformatics at the Indian Institute of Information Technology, Prayagraj, India. He has been actively involved in teaching and research since 2009, particularly in the areas of molecular modeling, chemoinformatics, inhibitor/drug design, and in silico evaluation. He has authored many research and review articles and book chapters in the fields of medicinal research, molecular modeling, drug design, and systems biology. He is a member of various national and international academic and research organizations, and has served as a referee for several international journals published by Springer, Bentham Science, and Taylor & Francis. Dr. Timir Tripathi is a Senior Assistant Professor at the Department of Biochemistry, North-Eastern Hill University, Shillong, India. He obtained his Ph.D. degree from the Central Drug Research Institute, Lucknow in 2010. He was a visiting faculty at ICGEB, New Delhi, India (2011), and KhonKaen University, Thailand (2015). His research interests are focused on understanding the structure-function-folding-misfolding-aggregation-flexibility-dynamics relations in proteins. He has done pioneering work on the protein-substrate interaction & dynamics, and understanding the roles of non-catalytic domains in regulating the catalytic activity of key drug target proteins. His work has provided a platform for the development of novel therapeutic strategies. He has received various awards including the Dr. D.M. Bose Award (2008), DST Fast Track Young Scientist Project Award (2012), DBT Overseas Associateship Award (2012), BRSI- Malviya Memorial Award (2017), ICMR- Shakuntala Amir Chand Prize (2018), and ISCB-Young Scientist Award (2019). In 2019, he was elected as a member of the National Academy of Sciences, India (NASI) and the Royal Society of Biology (RSB), London. He has published more than 70 research papers, reviews, commentaries and viewpoint articles in highly respected international journals. He has handled ten research grants as PI from various national and international funding agencies including the DBT, DST, SERB, UGC, ICMR, Russian Foundation for Basic Research, and Israel Science Foundation. He serves on the editorial boards of several journals including Scientific Reports (Nature Publishing Group) and Plos One. He is a Management Council Member of the Biotech Research Society of India (BRSI), and of the Bioinformatics and Drug Discovery Society (BIDDS), India.