STUDY OF THE THERMAL STABILITY OF BARNASE PROTEIN MUTANTS WITH MOLKERN SOFTWARE
A thermal stability study of several barnase mutants has been carried out by the λ dynamics method. The method has been implemented in the MOLKERN software package. Mutations of amino acids with non-zero charge are chosen for the study, because in this case λ dynamics gives results differing dramati...
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| Main Authors: | , |
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| 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
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| Series: | Вавиловский журнал генетики и селекции |
| Subjects: | |
| Online Access: | https://vavilov.elpub.ru/jour/article/view/57 |
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| Summary: | A thermal stability study of several barnase mutants has been carried out by the λ dynamics method. The method has been implemented in the MOLKERN software package. Mutations of amino acids with non-zero charge are chosen for the study, because in this case λ dynamics gives results differing dramatically (> 10 kJ/mol) from experimental data in nearly one-fourth of cases. A new modification of λ potentials is proposed, which takes into account charge changes, as well as the Net-Q method, in order to obtain reliable charge distributions for charged amino acids. The results obtained for the R72G mutation show a better agreement with experimental values than the results of other authors. |
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| ISSN: | 2500-3259 |