Electron density redistribution accounts for half the cooperativity of alpha helix formation

The Journal of Physical Chemistry. B
Alexandre V MorozovDavid Baker

Abstract

The energy of alpha helix formation is well known to be highly cooperative, but the origin and relative importance of the contributions to helical cooperativity have been unclear. Here we separate the energy of helix formation into short range and long range components by using two series of helical dimers of variable length. In one dimer series two monomeric helices interact by forming hydrogen bonds, while in the other they are coupled only through long range, primarily electrostatic interactions. Using Density Functional Theory, we find that approximately half of the cooperativity of helix formation is due to electrostatic interactions between residues, while the other half is due to nonadditive many-body effects brought about by redistribution of electron density with helix length.

References

Apr 27, 1999·Journal of Biomolecular Structure & Dynamics·T E CheathamP A Kollman
Jul 18, 2001·Journal of the American Chemical Society·N KobkoJ J Dannenberg
Jul 18, 2001·Journal of the American Chemical Society·Y D Wu, Y L Zhao
Feb 21, 2002·Journal of the American Chemical Society·Yi-Lei Zhao, Yun-Dong Wu
Jul 3, 2003·Journal of the American Chemical Society·Robert Wieczorek, J J Dannenberg
Oct 28, 2004·Journal of the American Chemical Society·Robert Wieczorek, J J Dannenberg

❮ Previous
Next ❯

Citations

Nov 14, 2012·Chemical Reviews·A Subha Mahadevi, G Narahari Sastry
Jun 12, 2009·The Journal of Physical Chemistry. B·Robert B Best, Gerhard Hummer
Feb 8, 2011·Nature Physics·Peter L FreddolinoKlaus Schulten
Feb 9, 2016·Journal of the American Chemical Society·Jingwen LiLishan Yao
Feb 4, 2016·Chemical Reviews·A Subha Mahadevi, G Narahari Sastry
Jan 20, 2012·Current Opinion in Structural Biology·Robert B Best
Mar 5, 2016·The Journal of Physical Chemistry. B·Ari Benjamin, Sinan Keten
Jun 22, 2007·Journal of Molecular Biology·Robert L Baldwin
Mar 21, 2007·Angewandte Chemie·Edward W SchlagSheng Hsien Lin
Aug 21, 2014·Biophysical Journal·Jing Huang, Alexander D MacKerell
Dec 23, 2011·The Journal of Physical Chemistry. a·Gustavo E LópezScott M Auerbach
May 12, 2017·Angewandte Chemie·Nicholas Dominelli-WhiteleyScott L Cockroft
Jun 2, 2017·Physical Chemistry Chemical Physics : PCCP·Jorge NochebuenaJoel Ireta
Dec 24, 2019·Frontiers in Molecular Biosciences·Josef Melcr, Jean-Philip Piquemal
May 15, 2008·The Journal of Physical Chemistry. B·Evgeni PenevJoan-Emma Shea
Aug 30, 2008·Journal of Chemical Theory and Computation·Andrew M Wollacott, Kenneth M Merz
Sep 23, 2009·Chemical Reviews·Tom F A De GreefE W Meijer
May 22, 2021·Journal of Biomolecular Structure & Dynamics·Unmesh D Chowdhury, B L Bhargava
Oct 15, 2010·The Journal of Physical Chemistry. B·Ivo A W FilotTom F A de Greef
Jul 3, 2007·The Journal of Physical Chemistry. a·R ParthasarathiT Ramasami

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Proceedings of the National Academy of Sciences of the United States of America
Alexandre V MorozovDavid Baker
Nature Chemical Biology
Gail J BartlettDerek N Woolfson
The Journal of Physical Chemistry. B
Robert B Best, Jeetain Mittal
© 2021 Meta ULC. All rights reserved