| Autor: |
Emilia A. Lubecka, Tomasz K Wirecki, Mariusz Makowski, Agnieszka S. Karczyńska, Agnieszka G. Lipska, Paweł Krupa, Adam Liwo, Adam K. Sieradzan, Stanisław Ołdziej, Ewa Gołaś, Magdalena A. Mozolewska, Cezary Czaplewski |
| Rok vydání: |
2021 |
| Předmět: |
|
| Zdroj: |
Protein Folding ISBN: 9781071617151 |
| Popis: |
The physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics and its replica-exchange extensions, UNRES has found a variety of applications, including ab initio and database-assisted protein-structure prediction, simulating protein-folding pathways, exploring protein free-energy landscapes, and solving biological problems. This chapter provides a summary of UNRES and a guide for potential users regarding the application of the UNRES package in a variety of research tasks. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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