Literature DB >> 21339588

Coarse-grained models to study dynamics of nanoscale biomolecules and their applications to the ribosome.

Joanna Trylska1.   

Abstract

Biopolymers are of dynamic nature and undergo functional motions spanning a large spectrum of timescales. To study the internal dynamics of nano-sized molecular complexes that exceed hundred thousands of atoms with atomic detail is computationally inefficient. Therefore, to achieve both the spatial and temporal scales of biological interest coarse-grained models of macromolecules are often used. By uniting groups of atoms into single interacting centers one decreases the resolution of the system and gets rid of the irrelevant degrees of freedom. This simplification, even though it requires parameterization, makes the studies of biomolecular dynamics computationally tractable and allows us to reach beyond the microsecond time frame. Here, I review the coarse-grained models of macromolecules composed of proteins and nucleic acids. I give examples of one-bead models that were developed to investigate the internal dynamics and focus on their applications to the ribosome--the nanoscale protein synthesis machine.

Mesh:

Substances:

Year:  2010        PMID: 21339588     DOI: 10.1088/0953-8984/22/45/453101

Source DB:  PubMed          Journal:  J Phys Condens Matter        ISSN: 0953-8984            Impact factor:   2.333


  8 in total

1.  Relation between molecular shape and the morphology of self-assembling aggregates: a simulation study.

Authors:  Robert Vácha; Daan Frenkel
Journal:  Biophys J       Date:  2011-09-20       Impact factor: 4.033

2.  Simulating movement of tRNA through the ribosome during hybrid-state formation.

Authors:  Paul C Whitford; Karissa Y Sanbonmatsu
Journal:  J Chem Phys       Date:  2013-09-28       Impact factor: 3.488

3.  A coarse-grained model for assisting the investigation of structure and dynamics of large nucleic acids by ion mobility spectrometry-mass spectrometry.

Authors:  S Vangaveti; R J D'Esposito; J L Lippens; D Fabris; S V Ranganathan
Journal:  Phys Chem Chem Phys       Date:  2017-06-14       Impact factor: 3.676

4.  Structure and mechanical properties of the ribosomal L1 stalk three-way junction.

Authors:  Kamila Réblová; Jirí Sponer; Filip Lankas
Journal:  Nucleic Acids Res       Date:  2012-03-26       Impact factor: 16.971

5.  Brownian dynamics study of the association between the 70S ribosome and elongation factor G.

Authors:  Maciej Długosz; Gary A Huber; J Andrew McCammon; Joanna Trylska
Journal:  Biopolymers       Date:  2011-03-10       Impact factor: 2.505

6.  COFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino Acids.

Authors:  Casey T Andrews; Adrian H Elcock
Journal:  J Chem Theory Comput       Date:  2014-10-07       Impact factor: 6.006

7.  Connecting the kinetics and energy landscape of tRNA translocation on the ribosome.

Authors:  Paul C Whitford; Scott C Blanchard; Jamie H D Cate; Karissa Y Sanbonmatsu
Journal:  PLoS Comput Biol       Date:  2013-03-21       Impact factor: 4.475

8.  Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems.

Authors:  Adam Liwo; Cezary Czaplewski; Adam K Sieradzan; Agnieszka G Lipska; Sergey A Samsonov; Rajesh K Murarka
Journal:  Biomolecules       Date:  2021-09-11
  8 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.