Results 61 to 70 of about 13,754,171 (302)
FEBS Letters, EarlyView.Inositol pyrophosphates are energy‐rich signaling molecules that perform critical functions in cells. Three different families of phosphatases hydrolyze the β phosphate of the inositol pyrophosphate molecules: two have narrow specificities and one is promiscuous.
Ronda J. Rolfes
wiley +1 more source
Journal of CheminformaticsAccurate chemical reaction prediction is critical for reducing both cost and time in drug development. This study introduces ReactionT5, a transformer-based chemical reaction foundation model pre-trained on the Open Reaction Database—a large publicly ...
Tatsuya Sagawa, Ryosuke Kojima
doaj +1 more source
Modelling stem cell differentiation related processes—A practical overview for biologists
FEBS Letters, EarlyView.Stem cell differentiation is complex and difficult to control experimentally. This review introduces suitable computational modelling approaches that can support stem cell research, from mechanistic ODE and abstract models to multiscale and deep learning methods.
Ricco Zeegelaar +4 more
wiley +1 more source
Chemical knowledge-informed framework for privacy-aware retrosynthesis learning
Nature CommunicationsChemical reaction data is a pivotal asset, driving advances in competitive fields such as pharmaceuticals, materials science, and industrial chemistry.
Guikun Chen +5 more
doaj +1 more source
Modeling Chemical Kinetics in Solid State Reactions [PDF]
, 2017 This work deals with the kinetics of thermally stimulated processes which take place in the solid state phases. The activation energy of the solid is calculated using several methods of different families of isoconversional methods (differential, integral and incremental).
Huidobro Rojo, José Ángel +4 more
openaire +2 more sources
Design and analysis strategies for robust microbiome ageing research
FEBS Letters, EarlyView.The gut microbiome changes with age and associates with age‐related morbidity and mortality, establishing it as a potential biomarker and intervention target for ageing. Realising this potential requires methodological rigour, yet distinguishing biological signals from methodological artefacts remains challenging across cohorts. This review provides an
Mark Olenik +5 more
wiley +1 more source
Disentangling CO Chemistry in a Protoplanetary Disk Using Explanatory Machine-learning Techniques
The Astrophysical JournalMolecular abundances in protoplanetary disks are highly sensitive to the local physical conditions, including gas temperature, gas density, radiation field, and dust properties.
Amina Diop +4 more
doaj +1 more source
Modelling Chemical Reasoning to Predict and Invent Reactions [PDF]
Chemistry – A European Journal, 2017 AbstractThe ability to reason beyond established knowledge allows organic chemists to solve synthetic problems and invent novel transformations. Herein, we propose a model that mimics chemical reasoning, and formalises reaction prediction as finding missing links in a knowledge graph.
Marwin H S, Segler, Mark P, Waller
openaire +2 more sources
Chemical master equation and Langevin regimes for a gene transcription model [PDF]
, 2008 Gene transcription models must take account of intrinsic stochasticity. The Chemical Master Equation framework is based on modelling assumptions that are highly appropriate for this context, and the Stochastic Simulation Algorithm (also known as ...
Higham, Desmond J., Khanin, Raya
core +3 more sources
FEBS Letters, EarlyView.CT10 regulator of kinase (CRK) and CRK‐Like (CRKL) are signaling adaptors driving cell adhesion, motility, differentiation, and proliferation. SH2‐domain containing (SH) proteins are enriched in YXXP motifs which when phosphorylated create preferred binding sites for CRK family SH2 domains.
Phoebe M. Cousens +8 more
wiley +1 more source