Dynamics of ionic interactions at protein–nucleic acid interfaces

B Yu, BM Pettitt, J Iwahara - Accounts of chemical research, 2020 - ACS Publications
Conspectus Molecular association of proteins with nucleic acids is required for many
biological processes essential to life. Electrostatic interactions via ion pairs (salt bridges) of …

Understanding nucleic acid–ion interactions

J Lipfert, S Doniach, R Das… - Annual review of …, 2014 - annualreviews.org
Ions surround nucleic acids in what is referred to as an ion atmosphere. As a result, the
folding and dynamics of RNA and DNA and their complexes with proteins and with each …

Cation–anion interactions within the nucleic acid ion atmosphere revealed by ion counting

M Gebala, GM Giambaşu, J Lipfert… - Journal of the …, 2015 - ACS Publications
The ion atmosphere is a critical structural, dynamic, and energetic component of nucleic
acids that profoundly affects their interactions with proteins and ligands. Experimental …

Theoretical assessment of the oligolysine model for ionic interactions in protein–DNA complexes

MO Fenley, C Russo, GS Manning - The Journal of Physical …, 2011 - ACS Publications
The observed salt dependence of charged ligand binding to polyelectrolytes, such as
proteins to DNA or antithrombin to heparin, is often interpreted by means of the “oligolysine …

Dynamic equilibria of short-range electrostatic interactions at molecular interfaces of protein–DNA complexes

C Chen, A Esadze, L Zandarashvili… - The journal of …, 2015 - ACS Publications
Intermolecular ion pairs (salt bridges) are crucial for protein–DNA association. For two
protein–DNA complexes, we demonstrate that the ion pairs of protein side-chain NH3+ and …

Direct observation of the ion-pair dynamics at a protein–DNA interface by NMR spectroscopy

KM Anderson, A Esadze, M Manoharan… - Journal of the …, 2013 - ACS Publications
Ion pairing is one of the most fundamental chemical interactions and is essential for
molecular recognition by biological macromolecules. From an experimental standpoint, very …

Does cation size affect occupancy and electrostatic screening of the nucleic acid ion atmosphere?

M Gebala, S Bonilla, N Bisaria… - Journal of the American …, 2016 - ACS Publications
Electrostatics are central to all aspects of nucleic acid behavior, including their folding,
condensation, and binding to other molecules, and the energetics of these processes are …

Competitive binding of cations to duplex DNA revealed through molecular dynamics simulations

J Yoo, A Aksimentiev - The Journal of Physical Chemistry B, 2012 - ACS Publications
The concept of “ion atmosphere” is prevalent in both theoretical and experimental studies of
nucleic acid systems, yet the spatial arrangement and the composition of ions in the ion …

Competitive interaction of monovalent cations with DNA from 3D-RISM

GM Giambaşu, MK Gebala, MT Panteva… - Nucleic acids …, 2015 - academic.oup.com
The composition of the ion atmosphere surrounding nucleic acids affects their folding,
condensation and binding to other molecules. It is thus of fundamental importance to gain …

Insight into nucleic acid counterion interactions from inside molecular dynamics simulations is “worth its salt”

F Mocci, A Laaksonen - Soft Matter, 2012 - pubs.rsc.org
Nucleic acids are highly charged polyelectrolytes. Their interactions with counterions are of
great importance for their structural stability, conformational behaviour and biological …