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Predicting the impacts of mutations on protein-ligand binding affinity based on molecular dynamics simulations and machine learning methods - Computational and Structural Biotechnology Journal
Predicting the impacts of mutations on protein-ligand binding affinity based on molecular dynamics simulations and machine learning methods - Computational and Structural Biotechnology Journal

IJMS | Free Full-Text | Proteins and Their Interacting Partners: An Introduction to Protein–Ligand Binding Site Prediction Methods
IJMS | Free Full-Text | Proteins and Their Interacting Partners: An Introduction to Protein–Ligand Binding Site Prediction Methods

Workflow of binding sites detection. Each protein chain submitted would... | Download Scientific Diagram
Workflow of binding sites detection. Each protein chain submitted would... | Download Scientific Diagram

Can We Rely on Computational Predictions To Correctly Identify Ligand Binding Sites on Novel Protein Drug Targets? Assessment of Binding Site Prediction Methods and a Protocol for Validation of Predicted Binding Sites
Can We Rely on Computational Predictions To Correctly Identify Ligand Binding Sites on Novel Protein Drug Targets? Assessment of Binding Site Prediction Methods and a Protocol for Validation of Predicted Binding Sites

PDF] The FunFOLD 2 server for the prediction of protein ligand interactions | Semantic Scholar
PDF] The FunFOLD 2 server for the prediction of protein ligand interactions | Semantic Scholar

Protein-ligand binding affinity prediction based on profiles of intermolecular contacts - ScienceDirect
Protein-ligand binding affinity prediction based on profiles of intermolecular contacts - ScienceDirect

Prediction of ligand binding sites | PPT
Prediction of ligand binding sites | PPT

PUResNet: prediction of protein-ligand binding sites using deep residual neural network | Journal of Cheminformatics | Full Text
PUResNet: prediction of protein-ligand binding sites using deep residual neural network | Journal of Cheminformatics | Full Text

dSPRINT: Machine learning for uncovering protein-ligand interaction sites - Princeton Insights
dSPRINT: Machine learning for uncovering protein-ligand interaction sites - Princeton Insights

A threading-based method (FINDSITE) for ligand-binding site prediction and functional annotation | PNAS
A threading-based method (FINDSITE) for ligand-binding site prediction and functional annotation | PNAS

SMPLIP-Score workflow for binding affinity prediction. Publically... | Download Scientific Diagram
SMPLIP-Score workflow for binding affinity prediction. Publically... | Download Scientific Diagram

Spatiotemporal identification of druggable binding sites using deep learning | Communications Biology
Spatiotemporal identification of druggable binding sites using deep learning | Communications Biology

Search Pockets/Cavities of Protein
Search Pockets/Cavities of Protein

bSiteFinder, an improved protein-binding sites prediction server based on structural alignment: more accurate and less time-consuming | Journal of Cheminformatics | Full Text
bSiteFinder, an improved protein-binding sites prediction server based on structural alignment: more accurate and less time-consuming | Journal of Cheminformatics | Full Text

Ligand-binding site prediction | Computational Systems Biology Group
Ligand-binding site prediction | Computational Systems Biology Group

Illustration of protein binding site prediction for Targets T0570 (a),... | Download Scientific Diagram
Illustration of protein binding site prediction for Targets T0570 (a),... | Download Scientific Diagram

PUResNet: prediction of protein-ligand binding sites using deep residual neural network | Journal of Cheminformatics | Full Text
PUResNet: prediction of protein-ligand binding sites using deep residual neural network | Journal of Cheminformatics | Full Text

ConCavity
ConCavity

Frontiers | RASPD+: Fast Protein-Ligand Binding Free Energy Prediction Using Simplified Physicochemical Features
Frontiers | RASPD+: Fast Protein-Ligand Binding Free Energy Prediction Using Simplified Physicochemical Features

EDock: blind protein–ligand docking by replica-exchange monte carlo simulation | Journal of Cheminformatics | Full Text
EDock: blind protein–ligand docking by replica-exchange monte carlo simulation | Journal of Cheminformatics | Full Text

Exploring the computational methods for protein-ligand binding site prediction - Computational and Structural Biotechnology Journal
Exploring the computational methods for protein-ligand binding site prediction - Computational and Structural Biotechnology Journal

RASPD+: Fast Protein-Ligand Binding Free Energy Prediction Using Simplified Physicochemical Features | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage
RASPD+: Fast Protein-Ligand Binding Free Energy Prediction Using Simplified Physicochemical Features | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage

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Bioinformatics Web Servers - University of Reading
Bioinformatics Web Servers - University of Reading

DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural Networks | Journal of Chemical Information and Modeling
DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural Networks | Journal of Chemical Information and Modeling