دورية أكاديمية

Recent Advances in Coarse-Grained Models for Biomolecules and Their Applications.

التفاصيل البيبلوغرافية
العنوان: Recent Advances in Coarse-Grained Models for Biomolecules and Their Applications.
المؤلفون: Singh, Nidhi1,2 (AUTHOR), Li, Wenjin1 (AUTHOR) liwenjin@szu.edu.cn
المصدر: International Journal of Molecular Sciences. Aug2019, Vol. 20 Issue 15, p3774-3774. 1p. 1 Diagram, 1 Chart, 1 Graph.
مصطلحات موضوعية: *BIOMOLECULES, *MOLECULAR dynamics, *PROTEIN folding, *BIOLOGICAL systems, *PROTEIN structure, *MACROMOLECULAR dynamics
مستخلص: Molecular dynamics simulations have emerged as a powerful tool to study biological systems at varied length and timescales. The conventional all-atom molecular dynamics simulations are being used by the wider scientific community in routine to capture the conformational dynamics and local motions. In addition, recent developments in coarse-grained models have opened the way to study the macromolecular complexes for time scales up to milliseconds. In this review, we have discussed the principle, applicability and recent development in coarse-grained models for biological systems. The potential of coarse-grained simulation has been reviewed through state-of-the-art examples of protein folding and structure prediction, self-assembly of complexes, membrane systems and carbohydrates fiber models. The multiscale simulation approaches have also been discussed in the context of their emerging role in unravelling hierarchical level information of biosystems. We conclude this review with the future scope of coarse-grained simulations as a constantly evolving tool to capture the dynamics of biosystems. [ABSTRACT FROM AUTHOR]
قاعدة البيانات: Academic Search Index
الوصف
تدمد:16616596
DOI:10.3390/ijms20153774