(Q77365342)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10216832%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

title

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

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10216832%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

2

M Karplus

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10216832%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

author name string

S S So

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10216832%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

publication date

1 May 1999

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10216832%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computer - Aided Molecular Design

5 December 2019

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10216832%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

volume

13

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10216832%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

issue

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10216832%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

page(s)

243-258

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10216832%20AND%20SRC:MED&resulttype=core&format=json

Genetic neural networks for quantitative structure-activity relationships: improvements and application of benzodiazepine affinity for benzodiazepine/GABAA receptors

5 December 2019

cites work

1 reference

12 December 2020

Empirical scale of side-chain conformational entropy in protein folding

1 reference

12 December 2020

Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites.

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

Prediction of ligand-receptor binding thermodynamics by free energy force field (FEFF) 3D-QSAR analysis: application to a set of peptidometic renin inhibitors

1 reference

12 December 2020

Ligand binding affinity prediction by linear interaction energy methods

1 reference

12 December 2020

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

12 December 2020

The binding of 2-deoxy-D-glucose 6-phosphate to glycogen phosphorylase b: kinetic and crystallographic studies

1 reference

12 December 2020

The design of potential antidiabetic drugs: experimental investigation of a number of beta-D-glucose analogue inhibitors of glycogen phosphorylase

1 reference

12 December 2020

Crystallographic binding studies on the allosteric inhibitor glucose-6-phosphate to T state glycogen phosphorylase b

1 reference

12 December 2020

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

1 reference

12 December 2020

1 reference

12 December 2020

Application of neural networks: quantitative structure-activity relationships of the derivatives of 2,4-diamino-5-(substituted-benzyl)pyrimidines as DHFR inhibitors

1 reference

12 December 2020

Receptor surface models. 2. Application to quantitative structure-activity relationships studies

1 reference

12 December 2020

Evolutionary optimization in quantitative structure-activity relationship: an application of genetic neural networks

1 reference

12 December 2020

Design of inhibitors of glycogen phosphorylase: a study of alpha- and beta-C-glucosides and 1-thio-beta-D-glucose compounds

1 reference

12 December 2020

Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition.

1 reference

12 December 2020

On the calculation of binding free energies using continuum methods: application to MHC class I protein-peptide interactions

1 reference

12 December 2020

The statistical-thermodynamic basis for computation of binding affinities: a critical review

1 reference

12 December 2020

LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads

1 reference

12 December 2020

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

1 reference

12 December 2020

Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 1. Method and validations.

1 reference

12 December 2020

Glucose analogue inhibitors of glycogen phosphorylase: the design of potential drugs for diabetes

1 reference

12 December 2020

Glucose analogue inhibitors of glycogen phosphorylase: from crystallographic analysis to drug prediction using GRID force-field and GOLPE variable selection

1 reference

12 December 2020

A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site.

1 reference

12 December 2020

Comparison of the binding of glucose and glucose 1-phosphate derivatives to T-state glycogen phosphorylase b

1 reference

12 December 2020

Receptor surface models. 1. Definition and construction

1 reference

12 December 2020

Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 2. Applications.

1 reference

12 December 2020

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

1 reference

12 December 2020

N-acetyl-beta-D-glucopyranosylamine: a potent T-state inhibitor of glycogen phosphorylase. A comparison with alpha-D-glucose.

1 reference

12 December 2020

Structure-activity relationships from molecular similarity matrices

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1008073215919

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10216832%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1035614967

0 references

1 reference