Crowding in Cellular Environments at an Atomistic Level from Computer Simulations

Michael Feig, Isseki Yu, Po Hung Wang, Grzegorz Nawrocki, Yuji Sugita

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish (US)
Pages (from-to)8009-8025
Number of pages17
JournalJournal of Physical Chemistry B
Volume121
Issue number34
DOIs
StatePublished - Aug 31 2017

Profile

crowding
Spontaneous Fractures
Computer Simulation
Peptides
Proteins
Macromolecules
Computer simulation
Dibenzoxepins
Cholesterol
macromolecules
peptides
computerized simulation
proteins
Metabolites
Experiments
Common Bile Duct Diseases
MSH Release-Inhibiting Hormone
Anthralin
metabolites
destabilization

ASJC Scopus subject areas

  • Surfaces, Coatings and Films
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Crowding in Cellular Environments at an Atomistic Level from Computer Simulations. / Feig, Michael; Yu, Isseki; Wang, Po Hung; Nawrocki, Grzegorz; Sugita, Yuji.

In: Journal of Physical Chemistry B, Vol. 121, No. 34, 31.08.2017, p. 8009-8025.

Research output: Contribution to journalArticle

Feig M, Yu I, Wang PH, Nawrocki G, Sugita Y. Crowding in Cellular Environments at an Atomistic Level from Computer Simulations. Journal of Physical Chemistry B. 2017 Aug 31;121(34):8009-8025. Available from, DOI: 10.1021/acs.jpcb.7b03570

Feig, Michael; Yu, Isseki; Wang, Po Hung; Nawrocki, Grzegorz; Sugita, Yuji / Crowding in Cellular Environments at an Atomistic Level from Computer Simulations.

In: Journal of Physical Chemistry B, Vol. 121, No. 34, 31.08.2017, p. 8009-8025.

Research output: Contribution to journalArticle

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