Abstract
Protein folding is useful and challenging problem in structural biology. Molecular dynamics (MD) and simulation has proved to be a paramount tool and was widely used to study protein structures, folding kinetics and thermodynamics and structure-stability-function relationship. It was also used to help engineering and designing new proteins, and to answer even more general questions for target validation, such as the evolution principle of protein families. MD simulation is still undergoing rapid developments. The first trend is to toward developing new coarse-grained models and studying larger and more complex molecular systems such as protein-protein complex and their assembling process, and structure; the second trend is toward building high resolution protein models and explore more detailed and accurate pictures of protein folding and the associated processes. Keywords- Protein folding, Molecular dynamics, Protein Quality Control, protein-protein interactions
Highlights
The study of basic protein science provides the insight of role of proteins in health and diseases and relates the study of protein to the context of modern high throughput data streams of genomics and proteomics [7]
The structure of protein is intimately linked to their function and predicting and studying the basic protein structure and function using bioinformatics, databases and computational method has paved the way to design novel proteins with specific desired character
The protein protein interaction in metabolic enzymes like in glycosylation pathway and during DNA replication is associated with large structure called protein machines.Transient protein protein inetraction is seen in protein modification such as protein kinase, protein phosphatse, acyl transferase and proteases with their substrate protein in fundamental processes like cell growth and cell cycle; in recruitment and assembly of transcription complex, to specific promoters, the transport of proteins across membranes, the folding of native proteins catalyzed by chaperonins [56]
Summary
The study of basic protein science provides the insight of role of proteins in health and diseases and relates the study of protein to the context of modern high throughput data streams of genomics and proteomics [7]. Computer programs have been made use of to simulate protein folding and generate precise 3-D structure of any protein from its amino acid sequence by using protein database.
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