THEORETICAL METHODS FOR INVESTIGATING PROTEIN THERMOSTABILITY AND THEIR APPLICATIONS IN BIOLOGY

Classification of existent theoretical approaches for investigating protein thermal stability is performed. Computer simulations allow to fully estimate micro- and macro properties of the molecules. But those approaches are limited in accuracy and therefore require certain improvements e.g. making t...

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Bibliographic Details
Main Authors: N. A. Alemasov, E. S. Fomin
Format: Article
Language:English
Published: Siberian Branch of the Russian Academy of Sciences, Federal Research Center Institute of Cytology and Genetics, The Vavilov Society of Geneticists and Breeders 2014-12-01
Series:Вавиловский журнал генетики и селекции
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Online Access:https://vavilov.elpub.ru/jour/article/view/74
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Summary:Classification of existent theoretical approaches for investigating protein thermal stability is performed. Computer simulations allow to fully estimate micro- and macro properties of the molecules. But those approaches are limited in accuracy and therefore require certain improvements e.g. making them to allow for molecular charge distribution. Also promising methods are those dealing with rigid regions of proteins. They do not require a huge amount of computations and allow to directly determine changes in molecular structure flexibility caused by mutated amino acid residues. But using the only structure it is impossible to explicitly estimate an effect of solvent and its thermodynamical properties.
ISSN:2500-3259