Development and evaluation of a deep learning model for proteinligand 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 …

DeepDTAF: a deep learning method to predict proteinligand binding affinity

K Wang, R Zhou, Y Li, M Li - Briefings in Bioinformatics, 2021 - academic.oup.com
… Furthermore, to evaluate the performance of DeepDTAF in predicting proteinligand binding
affinity, we compare DeepDTAF with three state of the art deep learning models, DeepDTA […

DeepBindRG: a deep learning based method for estimating effective proteinligand affinity

H Zhang, L Liao, KM Saravanan, P Yin, Y Wei - PeerJ, 2019 - peerj.com
… based deep learning scoring method, we show the generalized advantage and limitation of
the current proteinligand … clues to overcome those limitations for protein science community. …

From machine learning to deep learning: Advances in scoring functions for proteinligand docking

C Shen, J Ding, Z Wang, D Cao… - Wiley Interdisciplinary …, 2020 - Wiley Online Library
learning (ML) techniques, ML-based SFs have gradually emerged as a promising alternative
for proteinligand … Emergence of more data-hungry deep learning (DL) approaches in …

DEELIG: A deep learning approach to predict protein-ligand binding affinity

A Ahmed, B Mam… - Bioinformatics and biology …, 2021 - journals.sagepub.com
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

Deep learning in drug design: protein-ligand binding affinity prediction

MA Rezaei, Y Li, D Wu, X Li, C Li - IEEE/ACM transactions on …, 2020 - ieeexplore.ieee.org
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 …

Ssnet: A deep learning approach for protein-ligand interaction prediction

N Verma, X Qu, F Trozzi, M Elsaied, N Karki… - International journal of …, 2021 - mdpi.com
… 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 …

DLSSAffinity: proteinligand 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
proteinligand binding affinity based on both global sequence information and local structure …

Deep learning predicts protein-ligand interactions

J Balma, AD Vose, YK Peterson… - … Conference on Big …, 2020 - ieeexplore.ieee.org
… 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 …

DeepLPI: a novel deep learning-based model for proteinligand interaction prediction for drug repurposing

B Wei, Y Zhang, X Gong - Scientific reports, 2022 - nature.com
deep learning-based model to predict proteinligand interaction using the simple formats
of raw protein 1D sequences and 1D ligands … features or complex 3D protein structures. To …