Article: Advances in the computational methods to understand protein folding and stability Journal: International Journal of Data Mining and Bioinformatics (IJDMB) 2021 Vol.26 No.3/4 pp.202 - 223 Abstract: Understanding the molecular basis of life is important for advances in fundamental and applied biological research. Numerous and complex biological activities occur simultaneously in all living cells in a controlled manner to execute an optimal equilibrium and function. Specifically, life depends on the regular functioning of the protein molecules, which depends upon the attainment of the correct three-dimensional structure and its stability. Therefore, deducing a fundamental understanding of how proteins fold and stabilise in the native states is of great intellectual and technological significance. Similar to all natural events, protein folding is a physicochemical process that is much more complex in-vivo, with the association of chaperones and/or other co-factors. Perturbations in protein's stability results in misfolded proteins and their aggregated forms associated with protein misfolding disorders. Interestingly, researchers are involved in developing computational methods to predict the folded state of the protein and its stabilising mechanisms, which are essential in designing biotechnologically and medicinally important protein molecules. The present review aims to explore developments in the computational procedures which aid in understanding protein folding and stability and its applications. Inderscience Publishers - linking academia, business and industry through research

Title: Advances in the computational methods to understand protein folding and stability

Authors: Srimari Srikanth; Thamarai Selvi Srinivasan; Dhamodharan Prabhu; Saraboji Kadhirvel

Addresses: School of Chemical and Biotechnology, SASTRA Deemed University, Thanjavur, Tamil Nadu, India ' School of Chemical and Biotechnology, SASTRA Deemed University, Thanjavur, Tamil Nadu, India ' Research and Development Wing, Sree Balaji Medical College and Hospital - BIHER, Chennai, Tamil Nadu, India ' Department of Computational Sciences, Central University of Punjab, Bathinda, Punjab, India

Abstract: Understanding the molecular basis of life is important for advances in fundamental and applied biological research. Numerous and complex biological activities occur simultaneously in all living cells in a controlled manner to execute an optimal equilibrium and function. Specifically, life depends on the regular functioning of the protein molecules, which depends upon the attainment of the correct three-dimensional structure and its stability. Therefore, deducing a fundamental understanding of how proteins fold and stabilise in the native states is of great intellectual and technological significance. Similar to all natural events, protein folding is a physicochemical process that is much more complex in-vivo, with the association of chaperones and/or other co-factors. Perturbations in protein's stability results in misfolded proteins and their aggregated forms associated with protein misfolding disorders. Interestingly, researchers are involved in developing computational methods to predict the folded state of the protein and its stabilising mechanisms, which are essential in designing biotechnologically and medicinally important protein molecules. The present review aims to explore developments in the computational procedures which aid in understanding protein folding and stability and its applications.

Keywords: bioinformatics; protein engineering; structure prediction methods; protein folding energy calculation; in silico methods/analysis.

DOI: 10.1504/IJDMB.2021.126842

International Journal of Data Mining and Bioinformatics, 2021 Vol.26 No.3/4, pp.202 - 223

Accepted: 16 Aug 2022
Published online: 08 Nov 2022 *

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Title: Advances in the computational methods to understand protein folding and stability

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