- Tytuł:
- A new approach to homology modeling
- Autorzy:
-
He, Y.
Scheraga, H. A.
Rackovsky, S. - Powiązania:
- https://bibliotekanauki.pl/articles/1954429.pdf
- Data publikacji:
- 2022-02-01
- Wydawca:
- Politechnika Gdańska
- Tematy:
-
protein structure prediction
physical properties
Kidera factors
Fourier transformation
coarse-grained force field - Opis:
- The need to interpret experimental results led to, first, an all-atom force field, followed by a coarse-grained one. As an aid to these force fields, a new approach is introduced here to predict protein structure based on the physical properties of th e amino acids. This approach includes three key components: Kidera factors describing the physical properties, Fourier transformation and UNRES coarse-grained force field simulations. Different from traditional homology modeling methods which are based on evolution, this approach is physics-based, and does not have the same weaknesses as the traditional homology modeling methods. Our results show that this approach can produce above average prediction results, and can be used as a useful tool for protein structure prediction.
- Źródło:
-
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2014, 18, 3; 211--218
1428-6394 - Pojawia się w:
- TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
- Dostawca treści:
- Biblioteka Nauki
Artykuł