(Q40352786)

19 September 2017

Blind docking of drug-sized compounds to proteins with up to a thousand residues (English)

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19 September 2017

2

David van der Spoel

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author name string

Csaba Hetényi

series ordinal

1

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PubMed ID

16460734

19 September 2017

language of work or name

English

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publication date

31 January 2006

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19 September 2017

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19 September 2017

580

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19 September 2017

1447-1450

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19 September 2017

5

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Molecular recognition and docking algorithms

19 September 2017

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Efficient docking of peptides to proteins without prior knowledge of the binding site

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Ligand binding: functional site location, similarity and docking

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Design, structure and biological activity of beta-turn peptides of CD2 protein for inhibition of T-cell adhesion

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Creating artificial binding pocket boundaries to improve the efficiency of flexible ligand docking

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Computational comparison of microtubule-stabilising agents laulimalide and peloruside with taxol and colchicine

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Computational prediction of structure, substrate binding mode, mechanism, and rate for a malaria protease with a novel type of active site

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Exploring blocker binding to a homology model of the open hERG K+ channel using docking and molecular dynamics methods

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Ligand-dependent linkage of the ATP site to inhibition gate closure in the KATP channel

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Multiple ligand-binding modes in bacterial R67 dihydrofolate reductase

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Anesthetic interaction with ketosteroid isomerase: insights from molecular dynamics simulations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

A comprehensive docking study on the selectivity of binding of aromatic compounds to proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Refinement of docked protein-ligand and protein-DNA structures using low frequency normal mode amplitude optimization

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock

21 January 2018

1 reference

https://api.crossref.org/works/10.1016%2FJ.FEBSLET.2006.01.074

10.1016/J.FEBSLET.2006.01.074

21 January 2018

Identifiers

DOI

1 reference

19 September 2017

1 reference

PubMed ID

16460734