Crowding in Cellular Environments at an Atomistic Level from Computer Simulations

被引：135

作者：

Feig, Michael ^{[1
,2
]}

Yu, Isseki ^{[3
,4
]}

Wang, Po-hung ^{[3
]}

Nawrocki, Grzegorz ^{[1
]}

Sugita, Yuji ^{[2
,3
,4
,5
]}

机构：

[1] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA

[2] RIKEN, Quantitat Biol Ctr, Kobe, Hyogo, Japan

[3] RIKEN, Theoret Mol Sci Lab, Wako, Saitama, Japan

[4] RIKEN, iTHES Res Grp, Wako, Saitama, Japan

[5] RIKEN, Adv Inst Computat Sci, Kobe, Hyogo, Japan

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2017年 / 121卷 / 34期

基金：

美国国家科学基金会;

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; PROTEIN-PROTEIN ASSOCIATION; INTRINSICALLY DISORDERED PROTEIN; RETRACTED ARTICLE. SEE; NATIVE-STATE STABILITY; ALPHA-HELIX STABILITY; FORCE-FIELD; BROWNIAN DYNAMICS; EXCLUDED-VOLUME; LIVING CELLS;

D O I：

10.1021/acs.jpcb.7b03570

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The effects of crowding in biological environments on biomolecular structure, dynamics, and function remain not well understood. Computer simulations of atomistic models of concentrated peptide and protein systems at different levels of complexity are beginning to provide new insights. Crowding, weak interactions with other macromolecules and metabolites, and. altered solvent properties within cellular environments appear to remodel the energy landscape of peptides and proteins in significant ways including the possibility of native state destabilization. Crowding,is also seen to affect dynamic properties, both conformational dynamics and diffusional properties of macromolecules. Recent simulations that address these questions are reviewed here and discussed in the context of relevant experiments.

引用

页码：8009 / 8025

页数：17

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