Rhea, the reaction knowledgebase in 2022

P Bansal, A Morgat, KB Axelsen… - Nucleic acids …, 2022 - academic.oup.com
Abstract Rhea (https://www. rhea-db. org) is an expert-curated knowledgebase of
biochemical reactions based on the chemical ontology ChEBI (Chemical Entities of …

KinMod database: a tool for investigating metabolic regulation

K Haddadi, R Ahmed Barghout, R Mahadevan - Database, 2022 - academic.oup.com
The ability of current kinetic models to simulate the phenotypic behaviour of cells is limited
since cell metabolism is regulated at different levels including enzyme regulation. The small …

Identification of Enzymatic Active Sites with Unsupervised Language Modeling

LK Dassi, M Manica, D Probst, P Schwaller… - 2021 - chemrxiv.org
The first decade of genome sequencing saw a surge in the characterization of proteins with
unknown functionality. Even still, more than 20% of proteins in well-studied model animals …

[PDF][PDF] Language Modeling on Enzyme-Catalyzed Reactions Unsupervisedly Recover Active Sites

M DERBAL, T LAINO, M MANICA - 2022 - lkwate.github.io
We present in this work a Transformer-based language model adapted on enzymatic
biocatalyzed reactions which independently captures the knowledge of the functional sites …