Development and evaluation of a deep learning model for protein–ligand binding affinity prediction
MM Stepniewska-Dziubinska, P Zielenkiewicz… - …, 2018 - academic.oup.com
… We have developed a novel deep neural network estimating the binding affinity of ligand–…
of this representation, treating the atoms of both proteins and ligands in the same manner. Our …
of this representation, treating the atoms of both proteins and ligands in the same manner. Our …
DeepDTAF: a deep learning method to predict protein–ligand binding affinity
… Furthermore, to evaluate the performance of DeepDTAF in predicting protein–ligand binding
affinity, we compare DeepDTAF with three state of the art deep learning models, DeepDTA […
affinity, we compare DeepDTAF with three state of the art deep learning models, DeepDTA […
DeepBindRG: a deep learning based method for estimating effective protein–ligand affinity
… based deep learning scoring method, we show the generalized advantage and limitation of
the current protein–ligand … clues to overcome those limitations for protein science community. …
the current protein–ligand … clues to overcome those limitations for protein science community. …
From machine learning to deep learning: Advances in scoring functions for protein–ligand docking
… learning (ML) techniques, ML-based SFs have gradually emerged as a promising alternative
for protein–ligand … Emergence of more data-hungry deep learning (DL) approaches in …
for protein–ligand … Emergence of more data-hungry deep learning (DL) approaches in …
DEELIG: A deep learning approach to predict protein-ligand binding affinity
… Deep learning has been known to learn representations and patterns in complex data forms…
Our aim was to apply deep learning to predict binding affinity of protein-nonpeptide ligand …
Our aim was to apply deep learning to predict binding affinity of protein-nonpeptide ligand …
Deep learning in drug design: protein-ligand binding affinity prediction
… proteinligand complex as a mass-spring system. Their program calculates average distances
for different pairs of ligand-protein … of supervised machine learning to compute the weights …
for different pairs of ligand-protein … of supervised machine learning to compute the weights …
Ssnet: A deep learning approach for protein-ligand interaction prediction
… of secondary structure-based Deep Learning (DL), which is not just confined to protein-ligand
interactions, and as such will have a large impact on protein research, while being readily …
interactions, and as such will have a large impact on protein research, while being readily …
DLSSAffinity: protein–ligand binding affinity prediction via a deep learning model
H Wang, H Liu, S Ning, C Zeng, Y Zhao - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
… In this paper, we proposed one novel deep learning model, DLSSAffinity, to predict
protein–ligand binding affinity based on both global sequence information and local structure …
protein–ligand binding affinity based on both global sequence information and local structure …
Deep learning predicts protein-ligand interactions
… different elements that constitute the protein. This representation has been used in virtual
molecule synthesis using deep learning prior to our work [9-10]. The drug (or ligand) is also …
molecule synthesis using deep learning prior to our work [9-10]. The drug (or ligand) is also …
DeepLPI: a novel deep learning-based model for protein–ligand interaction prediction for drug repurposing
B Wei, Y Zhang, X Gong - Scientific reports, 2022 - nature.com
… deep learning-based model to predict protein–ligand interaction using the simple formats
of raw protein 1D sequences and 1D ligands … features or complex 3D protein structures. To …
of raw protein 1D sequences and 1D ligands … features or complex 3D protein structures. To …
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