Rapid search for specific sites on DNA through conformational switch of nonspecifically bound proteins

HX Zhou - Proceedings of the National Academy of Sciences, 2011 - pnas.org
We develop a theory for the rapid search of specific sites on DNA, via a mechanism in which
a nonspecifically-bound protein can switch between two conformations. In the “inactive” …

Modeling electrostatic force in protein-protein recognition

HBM Shashikala, A Chakravorty… - Frontiers in Molecular …, 2019 - frontiersin.org
Electrostatic interactions are important for understanding molecular interactions, since they
are long-range interactions and can guide binding partners to their correct binding positions …

Search by proteins for their DNA target site: 1. The effect of DNA conformation on protein sliding

A Bhattacherjee, Y Levy - Nucleic acids research, 2014 - academic.oup.com
The recognition of DNA-binding proteins (DBPs) to their specific site often precedes by a
search technique in which proteins slide, hop along the DNA contour or perform inter …

Fast predictions of thermodynamics and kinetics of protein–protein recognition from structures: from molecular design to systems biology

D Dell'Orco - Molecular BioSystems, 2009 - pubs.rsc.org
The increasing call for an overall picture of the interactions between the components of a
biological system that give rise to the observed function is often summarized by the …

DNA loo** and DNA conformational fluctuations can accelerate protein target search

C Felipe, J Shin, AB Kolomeisky - The Journal of Physical …, 2021 - ACS Publications
Protein searching and binding to specific sites on DNA is a fundamentally important process
that marks the beginning of all major cellular transformations. While the dynamics of protein …

Dynamic strategies for target-site search by DNA-binding proteins

MAD de la Rosa, EF Koslover, PJ Mulligan… - Biophysical journal, 2010 - cell.com
Gene regulatory proteins find their target sites on DNA remarkably quickly; the experimental
binding rate for lac repressor is orders-of-magnitude higher than predicted by free diffusion …

[KNIHA][B] Computational protein-protein interactions

R Nussinov, G Schreiber - 2009 - taylorfrancis.com
Often considered the workhorse of the cellular machinery, proteins are responsible for
functions ranging from molecular motors to signaling. The broad recognition of their …

Crowding and hop** in a protein's diffusive transport on DNA

EF Koslover, MD de la Rosa… - Journal of Physics A …, 2017 - iopscience.iop.org
Diffusion is a ubiquitous phenomenon that impacts virtually all processes that involve
random fluctuations, and as such, the foundational work of Smoluchowski has proven to be …

Ligand diffusion on protein surface observed in molecular dynamics simulation

D Nerukh, N Okimoto, A Suenaga… - The journal of physical …, 2012 - ACS Publications
The process of binding of small ligands to dihydrofolate reductase protein has been
investigated using all-atom molecular dynamics simulations. The existence of a mechanism …

Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation

PM Kekenes-Huskey, AK Gillette… - The Journal of Chemical …, 2014 - pubs.aip.org
The macroscopic diffusion constant for a charged diffuser is in part dependent on (1) the
volume excluded by solute “obstacles” and (2) long-range interactions between those …