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PDBbind database

Known as: PDBbind 
The PDBbind database is a comprehensive collection of experimentally measured binding affinity data (Kd, Ki, and IC50) for the protein-ligand… 
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Papers overview

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2019
2019
Accurate prediction of drug-target interaction (DTI) is essential for in silico drug design. For the purpose, we propose a novel… 
2018
2018
X-ray crystallography is the primarily technique used to determine the three-dimensional (3D) structure of protein:ligand and… 
2017
2017
Empirical molecular ”fingerprints” are often used in computational drug discovery (specifically in QSAR methods [3]) to predict… 
2017
2017
INTRODUCTION. Receptor-ligand molecular docking is a structure-based approach widely used by the scientific community in… 
2016
2016
In this paper we present VinaSC, an improved version of Autodock Vina, that performs molecular docking simulation efficiently on… 
2016
2016
We propose a new empirical scoring function for binding affinity prediction modeled based on physicochemical and structural… 
2013
2013
2013
2013
Accurately predicting the binding affinities of large sets of protein-ligand complexes efficiently is a key challenge in… 
2013
2013
SFCscore is a collection of emprirical scoring functions derived from a set of over 60 descriptors for protein-ligand complexes… 
2008
2008
The analysis of information in the biological domain is usually focused on the analysis of data from single on-line data sources…