Cargando…

Graph transformation for enzymatic mechanisms

MOTIVATION: The design of enzymes is as challenging as it is consequential for making chemical synthesis in medical and industrial applications more efficient, cost-effective and environmentally friendly. While several aspects of this complex problem are computationally assisted, the drafting of cat...

Descripción completa

Detalles Bibliográficos
Autores principales:	Andersen, Jakob L, Fagerberg, Rolf, Flamm, Christoph, Fontana, Walter, Kolčák, Juraj, Laurent, Christophe V F P, Merkle, Daniel, Nøjgaard, Nikolai
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Oxford University Press 2021
Materias:	Systems Biology and Networks
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8686676/ https://www.ncbi.nlm.nih.gov/pubmed/34252947 http://dx.doi.org/10.1093/bioinformatics/btab296

Ejemplares similares

DeepCoVDR: deep transfer learning with graph transformer and cross-attention for predicting COVID-19 drug response
por: Huang, Zhijian, et al.
Publicado: (2023)

Supervised biological network alignment with graph neural networks
por: Ding, Kerr, et al.
Publicado: (2023)

Toward heterogeneous information fusion: bipartite graph convolutional networks for in silico drug repurposing
por: Wang, Zichen, et al.
Publicado: (2020)

KG4SL: knowledge graph neural network for synthetic lethality prediction in human cancers
por: Wang, Shike, et al.
Publicado: (2021)

Characterizing alternative splicing effects on protein interaction networks with LINDA
por: Gjerga, Enio, et al.
Publicado: (2023)

The potential role of ischaemia–reperfusion injury in chronic, relapsing diseases such as rheumatoid arthritis, Long COVID, and ME/CFS: evidence, mechanisms, and therapeutic implications
por: Kell, Douglas B., et al.
Publicado: (2022)

Fully interpretable deep learning model of transcriptional control
por: Liu, Yi, et al.
Publicado: (2020)

TopicNet: a framework for measuring transcriptional regulatory network change
por: Lou, Shaoke, et al.
Publicado: (2020)

Prediction of cancer driver genes through network-based moment propagation of mutation scores
por: Gumpinger, Anja C, et al.
Publicado: (2020)

GLIDE: combining local methods and diffusion state embeddings to predict missing interactions in biological networks
por: Devkota, Kapil, et al.
Publicado: (2020)

Network-based characterization of disease–disease relationships in terms of drugs and therapeutic targets
por: Iida, Midori, et al.
Publicado: (2020)

Chromatin network markers of leukemia
por: Malod-Dognin, N, et al.
Publicado: (2020)

PEDL: extracting protein–protein associations using deep language models and distant supervision
por: Weber, Leon, et al.
Publicado: (2020)

Identifiability and experimental design in perturbation studies
por: Gross, Torsten, et al.
Publicado: (2020)

Model learning to identify systemic regulators of the peripheral circadian clock
por: Martinelli, Julien, et al.
Publicado: (2021)

Systems approaches to investigate the role of NF-κB signaling in aging
por: Haga, Masatoshi, et al.
Publicado: (2022)

Quantitative metabolic fluxes regulated by trans-omic networks
por: Ohno, Satoshi, et al.
Publicado: (2022)

A novel constrained genetic algorithm-based Boolean network inference method from steady-state gene expression data
por: Trinh, Hung-Cuong, et al.
Publicado: (2021)

Disease gene prediction with privileged information and heteroscedastic dropout
por: Shu, Juan, et al.
Publicado: (2021)

Deciphering signal transduction networks in the liver by mechanistic mathematical modelling
por: D’Alessandro, Lorenza A., et al.
Publicado: (2022)

Trap spaces of multi-valued networks: definition, computation, and applications
por: Trinh, Van-Giang, et al.
Publicado: (2023)

CLARIFY: cell–cell interaction and gene regulatory network refinement from spatially resolved transcriptomics
por: Bafna, Mihir, et al.
Publicado: (2023)

Optimal adjustment sets for causal query estimation in partially observed biomolecular networks
por: Mohammad-Taheri, Sara, et al.
Publicado: (2023)

Higher-order genetic interaction discovery with network-based biological priors
por: Pellizzoni, Paolo, et al.
Publicado: (2023)

The impossible challenge of estimating non-existent moments of the Chemical Master Equation
por: Wagner, Vincent, et al.
Publicado: (2023)

ArkDTA: attention regularization guided by non-covalent interactions for explainable drug–target binding affinity prediction
por: Gim, Mogan, et al.
Publicado: (2023)

Gemini: memory-efficient integration of hundreds of gene networks with high-order pooling
por: Woicik, Addie, et al.
Publicado: (2023)

A Graph-Based Framework for Multiscale Modeling of Physiological Transport
por: Deepa Maheshvare, M., et al.
Publicado: (2022)

Assessment of time irreversibility in a time series using visibility graphs
por: Andrzejewska, Małgorzata, et al.
Publicado: (2022)

Early stage NSCLS patients’ prognostic prediction with multi-information using transformer and graph neural network model
por: Lian, Jie, et al.
Publicado: (2022)

Finding the K best synthesis plans
por: Fagerberg, Rolf, et al.
Publicado: (2018)

Wikidata as a knowledge graph for the life sciences
por: Waagmeester, Andra, et al.
Publicado: (2020)

A guide to null models for animal social network analysis
por: Farine, Damien R.
Publicado: (2017)

MorphoGraphX: A platform for quantifying morphogenesis in 4D
por: Barbier de Reuille, Pierre, et al.
Publicado: (2015)

Editorial: Coupling in biological systems: Definitions, mechanisms, and implications
por: Schmal, Christoph, et al.
Publicado: (2022)

Modelling the perception of music in brain network dynamics
por: Sawicki, Jakub, et al.
Publicado: (2022)

Relationship Between Big Five Personality Dimensions, Chronotype, and DSM-V Personality Disorders
por: Staller, Naomi, et al.
Publicado: (2021)

Upper and lower bounds for the mass of the geodesic flow on graphs
por: Coornaert, M, et al.
Publicado: (1995)

Evolving interpretable plasticity for spiking networks
por: Jordan, Jakob, et al.
Publicado: (2021)

Learning cortical representations through perturbed and adversarial dreaming
por: Deperrois, Nicolas, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_1v2955a6toun76g4d309l60tr5