(Q34215889)

31 July 2017

1 reference

title

Statistical potentials and scoring functions applied to protein-ligand binding (English)

1 reference

31 July 2017

0 references

1 reference

Gohlke H

1

1 reference

PubMed ID

11297933

31 July 2017

Klebe G

series ordinal

2

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31 July 2017

1 April 2001

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Current Opinion in Structural Biology

31 July 2017

1 reference

31 July 2017

11

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31 July 2017

231-235

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31 July 2017

2

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Drug discovery: a historical perspective

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Scoring functions: a view from the bench

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Knowledge-based scoring function to predict protein-ligand interactions.

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A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

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Evaluation of docking/scoring approaches: a comparative study based on MMP3 inhibitors.

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Analysis of knowledge-based protein-ligand potentials using a self-consistent method

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The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

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Empirical scoring functions. II. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of the model.

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Structural determinants of trypsin affinity and specificity for cationic inhibitors

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Two-stage method for protein-ligand docking

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Ligand solvation in molecular docking.

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Molecular dynamics and free-energy calculations applied to affinity maturation in antibody 48G7.

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Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.

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A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors

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Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

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Identifiers

DOI

1 reference

31 July 2017

1 reference

PubMed ID

11297933