Results 51 to 60 of about 777,399 (277)

Transient fluctuation theorems for the currents and initial equilibrium ensembles [PDF]

open access: yes, 2014
We prove a transient fluctuation theorem for the currents for continuous-time Markov jump processes with stationary rates, generalizing an asymptotic result by Andrieux and Gaspard [J. Stat. Phys. 127, 107 (2007)] to finite times.
Esposito, Massimiliano   +1 more
core   +2 more sources

Deterministic function computation with chemical reaction networks [PDF]

open access: yesNatural Computing, 2012
fixed errors in previous ...
Chen, Ho-Lin   +2 more
openaire   +6 more sources

Information thermodynamics for deterministic chemical reaction networks

open access: yesThe Journal of Chemical Physics, 2022
Information thermodynamics relates the rate of change of mutual information between two interacting subsystems to their thermodynamics when the joined system is described by a bipartite stochastic dynamics satisfying local detailed balance. Here, we expand the scope of information thermodynamics to deterministic bipartite chemical reaction networks ...
Emanuele Penocchio   +2 more
openaire   +5 more sources

Cell wall target fragment discovery using a low‐cost, minimal fragment library

open access: yesFEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan   +5 more
wiley   +1 more source

Modeling dynamics of chemical reaction networks using electrical analogs: Application to autocatalytic reactions

open access: yesChemical Engineering Journal Advances, 2022
Modeling complex chemical reaction networks has inspired a considerable body of research and a variety of approaches to modeling nonlinear pathways are being developed.
Sarang S. Nath, John Villadsen
doaj   +1 more source

Computational Complexity of Atomic Chemical Reaction Networks

open access: yes, 2017
Informally, a chemical reaction network is "atomic" if each reaction may be interpreted as the rearrangement of indivisible units of matter. There are several reasonable definitions formalizing this idea.
A Padirac   +28 more
core   +1 more source

Solving moment hierarchies for chemical reaction networks [PDF]

open access: yesJournal of Physics A: Mathematical and Theoretical, 2017
The study of Chemical Reaction Networks (CRN's) is a very active field. Earlier well-known results \cite{Feinberg:def_01:87, Anderson:product_dist:10} identify a topological quantity called deficiency, for any CRN, which, when exactly equal to zero, leads to a unique factorized steady-state for these networks.
Supriya Krishnamurthy, Eric Smith
openaire   +3 more sources

The (Glg)ABCs of cyanobacteria: modelling of glycogen synthesis and functional divergence of glycogen synthases in Synechocystis sp. PCC 6803

open access: yesFEBS Letters, EarlyView.
We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee   +3 more
wiley   +1 more source

Clustering under the line graph transformation: application to reaction network

open access: yesBMC Bioinformatics, 2004
Background Many real networks can be understood as two complementary networks with two kind of nodes. This is the case of metabolic networks where the first network has chemical compounds as nodes and the second one has nodes as reactions.
Kanehisa Minoru   +4 more
doaj   +1 more source

Mechanism Deduction from Noisy Chemical Reaction Networks

open access: yes, 2018
We introduce KiNetX, a fully automated meta-algorithm for the kinetic analysis of complex chemical reaction networks derived from semi-accurate but efficient electronic structure calculations. It is designed to (i) accelerate the automated exploration of
Proppe, Jonny, Reiher, Markus
core   +1 more source

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