Continuum electrostatics approaches to calculating pKas and Ems in proteins
Proteins change their charge state through protonation and redox reactions as well as
through binding charged ligands. The free energy of these reactions is dominated by …
through binding charged ligands. The free energy of these reactions is dominated by …
Protein–DNA and ion–DNA interactions revealed through contrast variation SAXS
Understanding how DNA carries out its biological roles requires knowledge of its
interactions with biological partners. Since DNA is a polyanionic polymer, electrostatic …
interactions with biological partners. Since DNA is a polyanionic polymer, electrostatic …
The structure and intermolecular forces of DNA condensates
J Yoo, A Aksimentiev - Nucleic acids research, 2016 - academic.oup.com
Spontaneous assembly of DNA molecules into compact structures is ubiquitous in biological
systems. Experiment has shown that polycations can turn electrostatic self-repulsion of DNA …
systems. Experiment has shown that polycations can turn electrostatic self-repulsion of DNA …
Mechanism of chain collapse of strongly charged polyelectrolytes
We perform extensive molecular dynamics simulations of a charged polymer in a good
solvent in the regime where the chain is collapsed. We analyze the dependence of the …
solvent in the regime where the chain is collapsed. We analyze the dependence of the …
Electrolyte-mediated assembly of charged nanoparticles
S Kewalramani, GI Guerrero-García… - ACS central …, 2016 - ACS Publications
Solutions at high salt concentrations are used to crystallize or segregate charged colloids,
including proteins and polyelectrolytes via a complex mechanism referred to as “salting-out” …
including proteins and polyelectrolytes via a complex mechanism referred to as “salting-out” …
Aggregation dynamics of rigid polyelectrolytes
Similarly charged polyelectrolytes are known to attract each other and aggregate into
bundles when the charge density of the polymers exceeds a critical value that depends on …
bundles when the charge density of the polymers exceeds a critical value that depends on …
Single molecular demonstration of modulating charge inversion of DNA
Y Wang, R Wang, B Cao, Z Guo, G Yang - Scientific Reports, 2016 - nature.com
Charge inversion of DNA is a counterintuitive phenomenon in which the effective charge of
DNA switches its sign from negative to positive in the presence of multivalent counterions …
DNA switches its sign from negative to positive in the presence of multivalent counterions …
Potassium and the K+/H+ exchanger Kha1p promote binding of copper to ApoFet3p multi-copper ferroxidase
X Wu, H Kim, J Seravalli, JJ Barycki, PJ Hart… - Journal of Biological …, 2016 - ASBMB
Acquisition and distribution of metal ions support a number of biological processes. Here we
show that respiratory growth of and iron acquisition by the yeast Saccharomyces cerevisiae …
show that respiratory growth of and iron acquisition by the yeast Saccharomyces cerevisiae …
Charged nanoparticle attraction in multivalent salt solution: A classical-fluids density functional theory and molecular dynamics study
KM Salerno, AL Frischknecht… - The Journal of Physical …, 2016 - ACS Publications
Negatively charged nanoparticles (NPs) in 1: 1, 1: 2, and 1: 3 electrolyte solutions are
studied in a primitive ion model using molecular dynamics (MD) simulations and classical …
studied in a primitive ion model using molecular dynamics (MD) simulations and classical …
Potential of mean force between like-charged nanoparticles: Many-body effect
X Zhang, JS Zhang, YZ Shi, XL Zhu, ZJ Tan - Scientific reports, 2016 - nature.com
Ion-mediated interaction is important for the properties of polyelectrolytes such as colloids
and nucleic acids. The effective pair interactions between two polyelectrolytes have been …
and nucleic acids. The effective pair interactions between two polyelectrolytes have been …