FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection. (Q34173497)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

title

FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

1 reference

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

0 references

Karina S Machado

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

Evelyn K Schroeder

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

Elisângela M L Cohen

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

Osmar Norberto de Souza

series ordinal

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

language of work or name

English

0 references

publication date

22 December 2011

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

volume

12 Suppl 4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

page(s)

S6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

Managing protein flexibility in docking and its applications

24 January 2020

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1 reference

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5 July 2018

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Flexible ligand docking to multiple receptor conformations: a practical alternative

5 July 2018

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5 July 2018

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5 July 2018

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Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms

5 July 2018

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5 July 2018

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5 July 2018

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5 July 2018

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Slow-onset inhibition of 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis by an inorganic complex.

5 July 2018

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Combining docking and molecular dynamic simulations in drug design

5 July 2018

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5 July 2018

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5 July 2018

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Conformational flexibility models for the receptor in structure based drug design.

5 July 2018

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Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data

5 July 2018

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Drugs that inhibit mycolic acid biosynthesis in Mycobacterium tuberculosis

5 July 2018

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DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

5 July 2018

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5 July 2018

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Activation of the pro-drug ethionamide is regulated in mycobacteria

5 July 2018

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Developing a dynamic pharmacophore model for HIV-1 integrase.

5 July 2018

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5 July 2018

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5 July 2018

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SWISS-MODEL and the Swiss-PdbViewer: an environment for comparative protein modeling

5 July 2018

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5 July 2018

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Crystal structure and function of the isoniazid target of Mycobacterium tuberculosis

5 July 2018

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5 July 2018

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5 July 2018

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5 July 2018

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Protein flexibility in ligand docking and virtual screening to protein kinases.

21 January 2018

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Low-cost anti-HIV compounds: potential application for AIDS therapy in developing countries

21 January 2018

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Prediction of the binding sites of huperzine A in acetylcholinesterase by docking studies.

21 January 2018

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21 January 2018

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21 January 2018

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Molecular dynamics simulation studies of the wild-type, I21V, and I16T mutants of isoniazid-resistant Mycobacterium tuberculosis enoyl reductase (InhA) in complex with NADH: toward the understanding of NADH-InhA different affinities

21 January 2018

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An inorganic iron complex that inhibits wild-type and an isoniazid-resistant mutant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis.

21 January 2018

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Molecular dynamics simulations of biomolecules

28 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22369186

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

100,000 protein structures for the biologist

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22369186

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1186/1471-2164-12-S4-S6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22369186%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

1 reference