Modeling of Disordered Protein Structures Using Monte Carlo Simulations and Knowledge-Based Statistical Force Fields
Abstract
:1. Introduction
2. CABS Dynamics and Interaction Model
3. CABS Applications to Simulation of Disordered or Unfolded Proteins
3.1. Protein–Peptide Binding
3.2. Folding and Flexibility of Globular Proteins
4. Conclusions
Author Contributions
Funding
Conflicts of Interest
Abbreviations
CABS | Cα, Cβ, Side chain model |
MC | Monte Carlo |
NMR | nuclear magnetic resonance |
MD | molecular dynamics |
CG | coarse-grained |
AR | androgen receptor |
DSSP | dictionary of protein secondary structure |
RMSD | root-mean-square deviation of atomic positions |
PDB | Protein Data Bank |
CASP | Critical Assessment of protein Structure Prediction |
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Ciemny, M.P.; Badaczewska-Dawid, A.E.; Pikuzinska, M.; Kolinski, A.; Kmiecik, S. Modeling of Disordered Protein Structures Using Monte Carlo Simulations and Knowledge-Based Statistical Force Fields. Int. J. Mol. Sci. 2019, 20, 606. https://doi.org/10.3390/ijms20030606
Ciemny MP, Badaczewska-Dawid AE, Pikuzinska M, Kolinski A, Kmiecik S. Modeling of Disordered Protein Structures Using Monte Carlo Simulations and Knowledge-Based Statistical Force Fields. International Journal of Molecular Sciences. 2019; 20(3):606. https://doi.org/10.3390/ijms20030606
Chicago/Turabian StyleCiemny, Maciej Pawel, Aleksandra Elzbieta Badaczewska-Dawid, Monika Pikuzinska, Andrzej Kolinski, and Sebastian Kmiecik. 2019. "Modeling of Disordered Protein Structures Using Monte Carlo Simulations and Knowledge-Based Statistical Force Fields" International Journal of Molecular Sciences 20, no. 3: 606. https://doi.org/10.3390/ijms20030606