(Q52230454)

English

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.

scientific article published in September 1998

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scholarly article

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

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. (English)

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

author name string

C W Murray

1

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

T R Auton

2

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

M D Eldridge

3

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

publication date

1 September 1998

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

12

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

503-519

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

5

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

https://scigraph.springernature.com/pub.10.1023/a:1008040323669

0 references

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

1 reference

https://pubmed.ncbi.nlm.nih.gov/9834910

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A new method for predicting binding affinity in computer-aided drug design

1 reference

https://pubmed.ncbi.nlm.nih.gov/9834910

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/9834910

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Discovery of a novel, selective, and orally bioavailable class of thrombin inhibitors incorporating aminopyridyl moieties at the P1 position

1 reference

https://pubmed.ncbi.nlm.nih.gov/9834910

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/9834910

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

1 reference

https://pubmed.ncbi.nlm.nih.gov/9834910

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Hydrogen bonding and biological specificity analysed by protein engineering

1 reference

https://pubmed.ncbi.nlm.nih.gov/9834910

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities

1 reference

https://pubmed.ncbi.nlm.nih.gov/9834910

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Predicting ligand binding to proteins by affinity fingerprinting

1 reference

https://pubmed.ncbi.nlm.nih.gov/9834910

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

PRO_SELECT: combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology

1 reference

https://pubmed.ncbi.nlm.nih.gov/9834910

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Computational methods to predict binding free energy in ligand-receptor complexes

1 reference

https://pubmed.ncbi.nlm.nih.gov/9834910

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1023/A:1008040323669

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

DBLP publication ID

journals/jcamd/MurrayAE98

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

0 references

1 reference

Europe PubMed Central

27 April 2018

http://europepmc.org/abstract/MED/9834910

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