scholarly journals The more the merrier: effects of macromolecular crowding on the structure and dynamics of biological membranes

FEBS Journal ◽  
2020 ◽  
Vol 287 (23) ◽  
pp. 5039-5067 ◽  
Author(s):  
Maryna Löwe ◽  
Milara Kalacheva ◽  
Arnold J. Boersma ◽  
Alexej Kedrov
Keyword(s):  
Biological Membranes ◽  
Macromolecular Crowding ◽  
Structure And Dynamics

Towards capturing cellular complexity: combining encapsulation and macromolecular crowding in a reverse micelle

2019 ◽  
Vol 21 (15) ◽  
pp. 8108-8120 ◽  
Author(s):  
Philipp Honegger ◽  
Othmar Steinhauser
Keyword(s):  
Reverse Micelle ◽  
Macromolecular Crowding ◽  
Biological Cells ◽  
Structure And Dynamics ◽  
Orientational Structure

This paper studies the orientational structure and dynamics of multi-protein systems under confinement and discusses the implications on biological cells.

scholarly journals Structure and Dynamics of Glycosphingolipids in Lipid Bilayers: Insights from Molecular Dynamics Simulations

2011 ◽  
Vol 2011 ◽  
pp. 1-9 ◽  
Author(s):  
Ronak Y. Patel ◽  
Petety V. Balaji
Keyword(s):  
Molecular Dynamics ◽  
Lipid Bilayers ◽  
Membrane Structure ◽  
Lipid Membrane ◽  
Biological Membranes ◽  
Md Simulations ◽  
Atomic Level ◽  
Structure And Dynamics ◽  
Hydrogen Bonding Interactions ◽  
Dynamics Simulations

Glycolipids are important constituents of biological membranes, and understanding their structure and dynamics in lipid bilayers provides insights into their physiological and pathological roles. Experimental techniques have provided details into their behavior at model and biological membranes; however, computer simulations are needed to gain atomic level insights. This paper summarizes the insights obtained from MD simulations into the conformational and orientational dynamics of glycosphingolipids and their exposure, hydration, and hydrogen-bonding interactions in membrane environment. The organization of glycosphingolipids in raft-like membranes and their modulation of lipid membrane structure are also reviewed.

Macromolecular crowding and the importance of proper hydration for the structure and dynamics of protein solutions

2018 ◽  
Vol 20 (29) ◽  
pp. 19581-19594 ◽  
Author(s):  
Philipp Honegger ◽  
Michael Schmollngruber ◽  
Othmar Steinhauser
Keyword(s):  
Macromolecular Crowding ◽  
Protein Solutions ◽  
Protein Hydration ◽  
Special Focus ◽  
Computational Studies ◽  
Dielectric Spectra ◽  
Structure And Dynamics

Extensive computational studies of ubiquitin crowding with a special focus on protein hydration directly visible in dielectric spectra.

Towards an Understanding of Complex Biological Membranes from Atomistic Molecular Dynamics Simulations

2002 ◽  
Vol 22 (2) ◽  
pp. 151-173 ◽  
Author(s):  
Leonor Saiz ◽  
Sanjoy Bandyopadhyay ◽  
Michael L. Klein
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Biomedical Applications ◽  
Biological Membranes ◽  
Physical Processes ◽  
Structure And Dynamics ◽  
Structural And Functional Properties ◽  
Dynamics Simulations ◽  
Novel Applications ◽  
Polyunsaturated Lipids

Computer simulation has emerged as a powerful tool for studying the structural and functional properties of complex biological membranes. In the last few years, the use of recently developed simulation methodologies and current generation force fields has permitted novel applications of molecular dynamics simulations, which have enhanced our understanding of the different physical processes governing biomembrane structure and dynamics. This review focuses on frontier areas of research with important biomedical applications. We have paid special attention to polyunsaturated lipids, membrane proteins and ion channels, surfactant additives in membranes, and lipid–DNA gene transfer complexes.

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