A model study of sequential enzyme reactions and electrostatic channeling
C Eun, PM Kekenes-Huskey, VT Metzger… - The Journal of …, 2014 - pubs.aip.org
We study models of two sequential enzyme-catalyzed reactions as a basic functional
building block for coupled biochemical networks. We investigate the influence of enzyme …
building block for coupled biochemical networks. We investigate the influence of enzyme …
Diffusion toward non-overlapping partially reactive spherical traps: Fresh insights onto classic problems
DS Grebenkov - The Journal of Chemical Physics, 2020 - pubs.aip.org
Several classic problems for particles diffusing outside an arbitrary configuration of non-
overlapping partially reactive spherical traps in three dimensions are revisited. For this …
overlapping partially reactive spherical traps in three dimensions are revisited. For this …
Structural and dynamic basis of substrate permissiveness in hydroxycinnamoyltransferase (HCT)
Substrate permissiveness has long been regarded as the raw materials for the evolution of
new enzymatic functions. In land plants, hydroxycinnamoyltransferase (HCT) is an essential …
new enzymatic functions. In land plants, hydroxycinnamoyltransferase (HCT) is an essential …
Theory of diffusion-influenced reactions in complex geometries
Chemical transformations involving the diffusion of reactants and subsequent chemical
fixation steps are generally termed “diffusion-influenced reactions”(DIR). Virtually all …
fixation steps are generally termed “diffusion-influenced reactions”(DIR). Virtually all …
Quantifying the influence of the crowded cytoplasm on small molecule diffusion
PM Kekenes-Huskey, CE Scott… - The Journal of Physical …, 2016 - ACS Publications
Cytosolic crowding can influence the thermodynamics and kinetics of in vivo chemical
reactions. Most significantly, proteins and nucleic acid crowders reduce the accessible …
reactions. Most significantly, proteins and nucleic acid crowders reduce the accessible …
Semi-analytical computation of Laplacian Green functions in three-dimensional domains with disconnected spherical boundaries
DS Grebenkov, SD Traytak - Journal of Computational Physics, 2019 - Elsevier
The generalized method of separation of variables (GMSV) is applied to solve boundary
value problems for the Laplace operator in three-dimensional domains with disconnected …
value problems for the Laplace operator in three-dimensional domains with disconnected …
Co-localization and confinement of ecto-nucleotidases modulate extracellular adenosine nucleotide distributions
H Rahmaninejad, T Pace, S Bhatt, B Sun… - PLoS computational …, 2020 - journals.plos.org
Nucleotides comprise small molecules that perform critical signaling roles in biological
systems. Adenosine-based nucleotides, including adenosine tri-, di-, and mono-phosphate …
systems. Adenosine-based nucleotides, including adenosine tri-, di-, and mono-phosphate …
Conformation-controlled binding kinetics of antibodies
Antibodies are large, extremely flexible molecules, whose internal dynamics is certainly key
to their astounding ability to bind antigens of all sizes, from small hormones to giant viruses …
to their astounding ability to bind antigens of all sizes, from small hormones to giant viruses …
Diffusion-influenced reaction rates for active “sphere-prolate spheroid” pairs and Janus dimers
SD Traytak, DS Grebenkov - The Journal of Chemical Physics, 2018 - pubs.aip.org
The purpose of this paper is twofold. First, we provide a concise introduction to the
generalized method of separation of variables for solving diffusion problems in canonical …
generalized method of separation of variables for solving diffusion problems in canonical …
Molecular and subcellular-scale modeling of nucleotide diffusion in the cardiac myofilament lattice
Contractile function of cardiac cells is driven by the sliding displacement of myofilaments
powered by the cycling myosin crossbridges. Critical to this process is the availability of ATP …
powered by the cycling myosin crossbridges. Critical to this process is the availability of ATP …