[HTML][HTML] Decoding the protein–ligand interactions using parallel graph neural networks

C Knutson, M Bontha, JA Bilbrey, N Kumar - Scientific reports, 2022 - nature.com
Protein–ligand interactions (PLIs) are essential for biochemical functionality and their
identification is crucial for estimating biophysical properties for rational therapeutic design …

[HTML][HTML] Decoding the protein–ligand interactions using parallel graph neural networks

C Knutson, M Bontha, JA Bilbrey, N Kumar - Scientific Reports, 2022 - ncbi.nlm.nih.gov
Protein–ligand interactions (PLIs) are essential for biochemical functionality and their
identification is crucial for estimating biophysical properties for rational therapeutic design …

Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks

C Knutson, M Bontha, JA Bilbrey, N Kumar - arXiv preprint arXiv …, 2021 - arxiv.org
Protein-ligand interactions (PLIs) are fundamental to biochemical research and their
identification is crucial for estimating biophysical and biochemical properties for rational …

[PDF][PDF] Decoding the protein–ligand interactions using parallel graph neural networks

C Knutson, M Bontha, JA Bilbrey, N KumarΕ - Scientific Reports, 2022 - scienceopen.com
Methods Network architecture. The goal in this work is to define a GNN architecture that
predicts characteristics of a protein–ligand pair by learning features of the protein and ligand …

Decoding the protein–ligand interactions using parallel graph neural networks

C Knutson, M Bontha, JA Bilbrey, N Kumar - Scientific Reports, 2022 - osti.gov
Protein–ligand interactions (PLIs) are essential for biochemical functionality and their
identification is crucial for estimating biophysical properties for rational therapeutic design …

[HTML][HTML] Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks

C Knutson, M Bontha, JA Bilbrey, N Kumar - 2021 - europepmc.org
Protein-ligand interactions (PLIs) are fundamental to biochemical research and their
identification is crucial for estimating biophysical and biochemical properties for rational …

Decoding the protein-ligand interactions using parallel graph neural networks

C Knutson, M Bontha, JA Bilbrey… - Scientific Reports, 2022 - ui.adsabs.harvard.edu
Protein-ligand interactions (PLIs) are essential for biochemical functionality and their
identification is crucial for estimating biophysical properties for rational therapeutic design …

Decoding the protein-ligand interactions using parallel graph neural networks

C Knutson, M Bontha, JA Bilbrey… - Scientific …, 2022 - pubmed.ncbi.nlm.nih.gov
Protein-ligand interactions (PLIs) are essential for biochemical functionality and their
identification is crucial for estimating biophysical properties for rational therapeutic design …

Decoding the protein–ligand interactions using parallel graph neural networks.

C Knutson, M Bontha, JA Bilbrey… - Scientific Reports, 2022 - search.ebscohost.com
Protein–ligand interactions (PLIs) are essential for biochemical functionality and their
identification is crucial for estimating biophysical properties for rational therapeutic design …

Decoding the protein-ligand interactions using parallel graph neural networks.

C Knutson, M Bontha, JA Bilbrey, N Kumar - Scientific Reports, 2022 - europepmc.org
Protein–ligand interactions (PLIs) are essential for biochemical functionality and their
identification is crucial for estimating biophysical properties for rational therapeutic design …