Cargando…

Super High-Throughput Screening of Enzyme Variants by Spectral Graph Convolutional Neural Networks

[Image: see text] Finding new enzyme variants with the desired substrate scope requires screening through a large number of potential variants. In a typical in silico enzyme engineering workflow, it is possible to scan a few thousands of variants, and gather several candidates for further screening...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ramírez-Palacios, Carlos, Marrink, Siewert J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10373491/ https://www.ncbi.nlm.nih.gov/pubmed/36961994 http://dx.doi.org/10.1021/acs.jctc.2c01227

Ejemplares similares

Computation and memory optimized spectral domain convolutional neural network for throughput and energy-efficient inference
por: Rizvi, Shahriyar Masud, et al.
Publicado: (2022)

Computational prediction of ω-transaminase selectivity by deep learning analysis of molecular dynamics trajectories
por: Ramírez-Palacios, Carlos, et al.
Publicado: (2022)

A deep graph convolutional neural network architecture for graph classification
por: Zhou, Yuchen, et al.
Publicado: (2023)

A Convolutional Neural Network and Graph Convolutional Network Based Framework for AD Classification
por: Lin, Lan, et al.
Publicado: (2023)

Dual graph convolutional neural network for predicting chemical networks
por: Harada, Shonosuke, et al.
Publicado: (2020)

A convolutional neural network for high throughput screening of femoral stem taper corrosion
por: Codirenzi, Anastasia M, et al.
Publicado: (2023)

Graph Convolutional Network and Convolutional Neural Network Based Method for Predicting lncRNA-Disease Associations
por: Xuan, Ping, et al.
Publicado: (2019)

Node Classification in Complex Social Graphs via Knowledge-Graph Embeddings and Convolutional Neural Network
por: Molokwu, Bonaventure C., et al.
Publicado: (2020)

Instant multicolor super-resolution microscopy with deep convolutional neural network
por: Wang, Songyue, et al.
Publicado: (2021)

A graph-convolutional neural network model for the prediction of chemical reactivity
por: Coley, Connor W., et al.
Publicado: (2018)

Ear Detection Using Convolutional Neural Network on Graphs with Filter Rotation
por: Tomczyk, Arkadiusz, et al.
Publicado: (2019)

Using graph convolutional neural networks to learn a representation for glycans
por: Burkholz, Rebekka, et al.
Publicado: (2021)

Improved Graph Convolutional Neural Network for Dance Tracking and Pose Estimation
por: Zhang, Liangliang
Publicado: (2022)

Co-embedding of edges and nodes with deep graph convolutional neural networks
por: Zhou, Yuchen, et al.
Publicado: (2023)

Covid-19 classification by FGCNet with deep feature fusion from graph convolutional network and convolutional neural network
por: Wang, Shui-Hua, et al.
Publicado: (2021)

Generation of the NIR Spectral Band for Satellite Images with Convolutional Neural Networks
por: Illarionova, Svetlana, et al.
Publicado: (2021)

Semiprocessive Hyperglycosylation of Adhesin by Bacterial Protein N-Glycosyltransferases
por: Yakovlieva, Liubov, et al.
Publicado: (2021)

Cellular Network Fault Diagnosis Method Based on a Graph Convolutional Neural Network
por: Amuah, Ebenezer Ackah, et al.
Publicado: (2023)

DeepPN: a deep parallel neural network based on convolutional neural network and graph convolutional network for predicting RNA-protein binding sites
por: Zhang, Jidong, et al.
Publicado: (2022)

Convolutional neural networks for high throughput screening of catalyst layer inks for polymer electrolyte fuel cells
por: Eslamibidgoli, Mohammad J., et al.
Publicado: (2021)

DEEPSEN: a convolutional neural network based method for super-enhancer prediction
por: Bu, Hongda, et al.
Publicado: (2019)

Classification of Multiple Sclerosis Clinical Profiles via Graph Convolutional Neural Networks
por: Marzullo, Aldo, et al.
Publicado: (2019)

CGNet: A graph-knowledge embedded convolutional neural network for detection of pneumonia
por: Yu, Xiang, et al.
Publicado: (2021)

Prediction of pharmacological activities from chemical structures with graph convolutional neural networks
por: Sakai, Miyuki, et al.
Publicado: (2021)

GCRNN: graph convolutional recurrent neural network for compound–protein interaction prediction
por: Elbasani, Ermal, et al.
Publicado: (2022)

Simplified, interpretable graph convolutional neural networks for small molecule activity prediction
por: Weber, Jeffrey K., et al.
Publicado: (2021)

Bearing Fault Diagnosis Method Based on Convolutional Neural Network and Knowledge Graph
por: Li, Zhibo, et al.
Publicado: (2022)

Enhanced brain tumor classification using graph convolutional neural network architecture
por: Ravinder, M., et al.
Publicado: (2023)

Application of graph frequency attention convolutional neural networks in depression treatment response
por: Lu, Zihe, et al.
Publicado: (2023)

Spectral–Spatial Features Integrated Convolution Neural Network for Breast Cancer Classification
por: Mewada, Hiren K, et al.
Publicado: (2020)

High-Throughput Classification of Radiographs Using Deep Convolutional Neural Networks
por: Rajkomar, Alvin, et al.
Publicado: (2016)

SGCN: A Graph Sparsifier Based on Graph Convolutional Networks
por: Li, Jiayu, et al.
Publicado: (2020)

Spectral graph theory of brain oscillations
por: Raj, Ashish, et al.
Publicado: (2020)

SARS-Net: COVID-19 detection from chest x-rays by combining graph convolutional network and convolutional neural network
por: Kumar, Aayush, et al.
Publicado: (2022)

Single Image Super-Resolution Based on Multi-Scale Competitive Convolutional Neural Network
por: Du, Xiaofeng, et al.
Publicado: (2018)

Small training dataset convolutional neural networks for application-specific super-resolution microscopy
por: Mannam, Varun, et al.
Publicado: (2023)

Classification of Polar Maps from Cardiac Perfusion Imaging with Graph-Convolutional Neural Networks
por: Spier, Nathalia, et al.
Publicado: (2019)

Comprehensive Exploration of Target‐specific Ligands Using a Graph Convolution Neural Network
por: Miyazaki, Yu, et al.
Publicado: (2019)

ResGNet-C: A graph convolutional neural network for detection of COVID-19
por: Yu, Xiang, et al.
Publicado: (2021)

Chemical toxicity prediction based on semi-supervised learning and graph convolutional neural network
por: Chen, Jiarui, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_58nrjl8t3rcc7qjl0c2vl785bl