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… (More)
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Topic mentions per year

Topic mentions per year

2004-2018
0520042018

Papers overview

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Review
2015
Review
2015
MOTIVATION Molecular recognition between biological macromolecules and organic small molecules plays an important role in various… (More)
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2014
2014
Our comparative assessment of scoring functions (CASF) benchmark is created to provide an objective evaluation of current scoring… (More)
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2014
2014
MOTIVATION Hydrophobic effect plays a pivotal role in most protein-ligand binding. State-of-the-art protein-ligand scoring… (More)
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2013
2013
We validate an automated implementation of a combined Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) method (VSGB 2… (More)
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2013
2013
A major shortcoming of empirical scoring functions for protein-ligand complexes is the low degree of correlation between… (More)
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Highly Cited
2011
Highly Cited
2011
Docking is one of the most commonly used techniques in drug design. It is used for both identifying correct poses of a ligand in… (More)
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2011
2011
The community structure-activity resource (CSAR) data sets are used to develop and test a support vector machine-based scoring… (More)
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2010
2010
Automated prediction of protein active sites is essential for large-scale protein function prediction, classification, and… (More)
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Highly Cited
2009
Highly Cited
2009
Scoring functions are widely applied to the evaluation of protein-ligand binding in structure-based drug design. We have… (More)
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Highly Cited
2004
Highly Cited
2004
Fourteen popular scoring functions, i.e., X-Score, DrugScore, five scoring functions in the Sybyl software (D-Score, PMF-Score, G… (More)
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