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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| Format: | Article |
| Language: | English |
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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
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| Series: | Вавиловский журнал генетики и селекции |
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| Online Access: | https://vavilov.elpub.ru/jour/article/view/74 |
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| _version_ | 1832575298543026176 |
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| author | N. A. Alemasov E. S. Fomin |
| author_facet | N. A. Alemasov E. S. Fomin |
| author_sort | N. A. Alemasov |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-6375046d6934449e830bbab50f5832da |
| institution | Kabale University |
| issn | 2500-3259 |
| language | English |
| publishDate | 2014-12-01 |
| publisher | Siberian Branch of the Russian Academy of Sciences, Federal Research Center Institute of Cytology and Genetics, The Vavilov Society of Geneticists and Breeders |
| record_format | Article |
| series | Вавиловский журнал генетики и селекции |
| spelling | doaj-art-6375046d6934449e830bbab50f5832da2025-02-01T09:57:59ZengSiberian Branch of the Russian Academy of Sciences, Federal Research Center Institute of Cytology and Genetics, The Vavilov Society of Geneticists and BreedersВавиловский журнал генетики и селекции2500-32592014-12-01164/177478358THEORETICAL METHODS FOR INVESTIGATING PROTEIN THERMOSTABILITY AND THEIR APPLICATIONS IN BIOLOGYN. A. Alemasov0E. S. Fomin1Institute of Cytology and Genetics SB RAS, Novosibirsk, RussiaInstitute of Cytology and Genetics SB RAS, Novosibirsk, RussiaClassification 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.https://vavilov.elpub.ru/jour/article/view/74protein thermal stabilityfree energymolecular dynamicsrigid regionssemi-empiric energy functionelectrostatic and hydrophobic interactionsthermophilesmesophiles |
| spellingShingle | N. A. Alemasov E. S. Fomin THEORETICAL METHODS FOR INVESTIGATING PROTEIN THERMOSTABILITY AND THEIR APPLICATIONS IN BIOLOGY Вавиловский журнал генетики и селекции protein thermal stability free energy molecular dynamics rigid regions semi-empiric energy function electrostatic and hydrophobic interactions thermophiles mesophiles |
| title | THEORETICAL METHODS FOR INVESTIGATING PROTEIN THERMOSTABILITY AND THEIR APPLICATIONS IN BIOLOGY |
| title_full | THEORETICAL METHODS FOR INVESTIGATING PROTEIN THERMOSTABILITY AND THEIR APPLICATIONS IN BIOLOGY |
| title_fullStr | THEORETICAL METHODS FOR INVESTIGATING PROTEIN THERMOSTABILITY AND THEIR APPLICATIONS IN BIOLOGY |
| title_full_unstemmed | THEORETICAL METHODS FOR INVESTIGATING PROTEIN THERMOSTABILITY AND THEIR APPLICATIONS IN BIOLOGY |
| title_short | THEORETICAL METHODS FOR INVESTIGATING PROTEIN THERMOSTABILITY AND THEIR APPLICATIONS IN BIOLOGY |
| title_sort | theoretical methods for investigating protein thermostability and their applications in biology |
| topic | protein thermal stability free energy molecular dynamics rigid regions semi-empiric energy function electrostatic and hydrophobic interactions thermophiles mesophiles |
| url | https://vavilov.elpub.ru/jour/article/view/74 |
| work_keys_str_mv | AT naalemasov theoreticalmethodsforinvestigatingproteinthermostabilityandtheirapplicationsinbiology AT esfomin theoreticalmethodsforinvestigatingproteinthermostabilityandtheirapplicationsinbiology |