The sensitivity of the results of molecular docking to induced fit effects: application to thrombin, thermolysin and neuraminidase (Q73233694)

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scientific article published on 01 November 1999

Language	Label	Description	Also known as
English	The sensitivity of the results of molecular docking to induced fit effects: application to thrombin, thermolysin and neuraminidase	scientific article published on 01 November 1999

Statements

instance of

scholarly article

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

title

The sensitivity of the results of molecular docking to induced fit effects: application to thrombin, thermolysin and neuraminidase (English)

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

author name string

C W Murray

series ordinal

1

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

C A Baxter

series ordinal

2

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

A D Frenkel

series ordinal

3

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

publication date

1 November 1999

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

published in

Journal of Computer - Aided Molecular Design

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

volume

13

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

issue

6

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

page(s)

547-562

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

cites work

Flexible ligand docking using a genetic algorithm.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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Ligand—protein docking and rational drug design

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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A comparison of heuristic search algorithms for molecular docking.

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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Ligand docking to proteins with discrete side-chain flexibility.

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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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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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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inferred from PubMed ID database lookup

Development and validation of a genetic algorithm for flexible docking

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Flexible Docking and Design

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A geometric approach to macromolecule-ligand interactions

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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inferred from PubMed ID database lookup

Computational methods for biomolecular docking.

1 reference

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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QXP: powerful, rapid computer algorithms for structure-based drug design.

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Exploring the energy landscapes of molecular recognition by a genetic algorithm: analysis of the requirements for robust docking of HIV-1 protease and FKBP-12 complexes

1 reference

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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Docking small-molecule ligands into active sites

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

based on heuristic

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The Protein Data Bank: a computer-based archival file for macromolecular structures

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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Flexible docking using Tabu search and an empirical estimate of binding affinity.

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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FLOG: a system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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

1 reference

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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inferred from PubMed ID database lookup

Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

1 reference

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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Automated docking of substrates to proteins by simulated annealing

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

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inferred from PubMed ID database lookup

A fast flexible docking method using an incremental construction algorithm.

1 reference

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10584214

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Multiple automatic base selection: protein-ligand docking based on incremental construction without manual intervention.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10584214

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular docking to ensembles of protein structures

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10584214

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular docking towards drug discovery

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10584214

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

DOI

10.1023/A:1008015827877

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

DBLP publication ID

journals/jcamd/MurrayBF99

1 reference

stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

Dimensions Publication ID

1047887910

0 references

PubMed publication ID

10584214

1 reference

stated in

Europe PubMed Central

PubMed publication ID

10584214

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10584214%20AND%20SRC:MED&resulttype=core&format=json

retrieved

2 November 2019

 

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