Chapter 1_ Protein purification, estimation, storage and their effect on structure, function and dynamics.- Chapter 2_Molecular motor: Subdomain dynamics and mechanochemistry.- Chapter 3_Computational insights into the role of SNPs/mutations in enzyme inhibition: progress and challenges.-Chapter 4_Use of group specific reagents in active site functional group elucidation.- Chapter 5_Understanding the potential role of structurally distant amino acids in modulating the structure and activity of proteins.- Chapter 6_Role of human genetic variations in the modulation of enzyme efficacy and activity of metabolic and xenobiotic metabolizing enzymes.- Chatper 7_Computational protein structure modeling: The gateway for drug design.- Chapter 8_Molecular dynamics simulation study of protein and protein-ligand complexes.- Chapter 9_Protein-protein interactions modeling: from wet to dry lab approaches
About the Author:

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.