Automatic Inference of Graph Transformation Rules Using the Cyclic Nature of Chemical Reactions
Graph transformation systems have the potential to be realistic models of chemistry, provided a comprehensive collection of reaction rules can be extracted from the body of chemical knowledge. A first key step for rule learning is the computation of atom-
Flamm, Christoph+3 more
core +1 more source
FindPrimaryPairs: An efficient algorithm for predicting element-transferring reactant/product pairs in metabolic networks. [PDF]
The metabolism of individual organisms and biological communities can be viewed as a network of metabolites connected to each other through chemical reactions.
Jon Lund Steffensen+2 more
doaj +1 more source
Decoding the dual role of autophagy in cancer through transcriptional and epigenetic regulation
Transcriptional and epigenetic regulation controls autophagy, which exerts context‐dependent effects on cancer: Autophagy suppresses tumorigenesis by maintaining cellular homeostasis or promotes tumor progression by supporting survival under stress. In this “In a Nutshell” article, we explore the intricate mechanisms of the dual function of autophagy ...
Young Suk Yu, Ik Soo Kim, Sung Hee Baek
wiley +1 more source
Formulating genome-scale kinetic models in the post-genome era. [PDF]
The biological community is now awash in high-throughput data sets and is grappling with the challenge of integrating disparate data sets. Such integration has taken the form of statistical analysis of large data sets, or through the bottom-up ...
Jamshidi, Neema, Palsson, Bernhard Ø
core +2 more sources
A stepwise emergence of evolution in the RNA world
How did biological evolution emerge from chemical reactions? This perspective proposes a gradual scenario of self‐organization among RNA molecules, where catalytic feedback on random mixtures plays the central role. Short oligomers cross‐ligate, and self‐assembly enables heritable variations. An event of template‐externalization marks the transition to
Philippe Nghe
wiley +1 more source
Rule-based spatial modeling with diffusing, geometrically constrained molecules
Background We suggest a new type of modeling approach for the coarse grained, particle-based spatial simulation of combinatorially complex chemical reaction systems.
Lohel Maiko+5 more
doaj +1 more source
Evolutionary interplay between viruses and R‐loops
Viruses interact with specialized nucleic acid structures called R‐loops to influence host transcription, epigenetic states, latency, and immune evasion. This Perspective examines the roles of R‐loops in viral replication, integration, and silencing, and how viruses co‐opt or avoid these structures.
Zsolt Karányi+4 more
wiley +1 more source
Disruption of SETD3‐mediated histidine‐73 methylation by the BWCFF‐associated β‐actin G74S mutation
The β‐actin G74S mutation causes altered interaction of actin with SETD3, reducing histidine‐73 methylation efficiency and forming two distinct actin variants. The variable ratio of these variants across cell types and developmental stages contributes to tissue‐specific phenotypical changes. This imbalance may impair actin dynamics and mechanosensitive
Anja Marquardt+8 more
wiley +1 more source
A numerical approach to model chemistry of complex organic molecules in a protoplanetary disk
Multiphase astrochemical modeling presents a numerical challenge especially for the simulation of objects with the wide range of physical parameters such as protoplanetary disks.
Kiskin Mikhail Yu.+2 more
doaj +1 more source
Recent research in both the experimental and mathematical communities has focused on biochemical interaction systems that satisfy an "absolute concentration robustness" (ACR) property.
Anderson, David F.+2 more
core +1 more source