Utilizing Experimental Data for Reducing Ensemble Size in Flexible-Protein Docking (Q34092829)

31 July 2017

title

Utilizing experimental data for reducing ensemble size in flexible-protein docking (English)

1 reference

https://api.crossref.org/works/10.1021/CI200428T

31 July 2017

Utilizing Experimental Data for Reducing Ensemble Size in Flexible-Protein Docking (English)

1 reference

19 December 2024

2

Markus A. Lill

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC:MED AND EXT_ID:22146074

19 December 2024

author name string

Mengang Xu

series ordinal

1

1 reference

31 July 2017

language of work or name

English

1 reference

National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=22146074

19 December 2024

publication date

19 December 2011

1 reference

full work available at URL

31 July 2017

https://europepmc.org/articles/pmc3337782?pdf=render

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC:MED AND EXT_ID:22146074

https://europepmc.org/articles/PMC3337782

19 December 2024

file format

HyperText Markup Language

online access status

open access

content deliverer

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC:MED AND EXT_ID:22146074

https://europepmc.org/articles/PMC3337782?pdf=render

19 December 2024

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC:MED AND EXT_ID:22146074

https://doi.org/10.1021/ci200428t

19 December 2024

online access status

open access

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC:MED AND EXT_ID:22146074

https://pubs.acs.org/doi/pdf/10.1021/ci200428t

19 December 2024

1 reference

https://api.crossref.org/works/10.1021/CI200428T

Journal of Chemical Information and Modeling

19 December 2024

published in

1 reference

31 July 2017

volume

52

1 reference

31 July 2017

issue

1

1 reference

31 July 2017

page(s)

187-198

1 reference

Efficient Incorporation of Protein Flexibility and Dynamics into Molecular Docking Simulations

31 July 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3337782

Significant Enhancement of Docking Sensitivity Using Implicit Ligand Sampling

28 July 2018

1 reference

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Accounting for Induced-Fit Effects in Docking: What is Possible and What is Not?

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3337782

Global dynamics of proteins: bridging between structure and function

28 July 2018

1 reference

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An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular Dynamics

28 July 2018

1 reference

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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

28 July 2018

1 reference

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Flexible ligand docking to multiple receptor conformations: a practical alternative

28 July 2018

1 reference

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Benchmarking sets for molecular docking

28 July 2018

1 reference

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Elastic network models for understanding biomolecular machinery: from enzymes to supramolecular assemblies

28 July 2018

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The Amber biomolecular simulation programs

28 July 2018

1 reference

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

28 July 2018

1 reference

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Implications of protein flexibility for drug discovery

28 July 2018

1 reference

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Protein flexibility and drug design: how to hit a moving target.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3337782

Exploring expression data: identification and analysis of coexpressed genes

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3337782

Three-dimensional structure of influenza A N9 neuraminidase and its complex with the inhibitor 2-deoxy 2,3-dehydro-N-acetyl neuraminic acid

28 July 2018

1 reference

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Tackling the challenges posed by target flexibility in drug design

28 July 2018

1 reference

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Accommodating Protein Flexibility for Structure-Based Drug Design

28 October 2018

1 reference

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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

28 October 2018

1 reference

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Managing protein flexibility in docking and its applications

28 October 2018

1 reference

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In pursuit of virtual lead optimization: pruning ensembles of receptor structures for increased efficiency and accuracy during docking

28 October 2018

1 reference

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An improved relaxed complex scheme for receptor flexibility in computer-aided drug design

28 October 2018

1 reference

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Unveiling the full potential of flexible receptor docking using multiple crystallographic structures

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3337782

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

28 October 2018

1 reference

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The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme

28 October 2018

1 reference

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Computational drug design accommodating receptor flexibility: the relaxed complex scheme

28 October 2018

1 reference

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Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation

28 October 2018

1 reference

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Dihydropyrancarboxamides Related to Zanamivir: A New Series of Inhibitors of Influenza Virus Sialidases. 2. Crystallographic and Molecular Modeling Study of Complexes of 4-Amino-4H-pyran-6-carboxamides and Sialidase from Influenza Virus Types A and B

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3337782

28 October 2018

9

14

394

Rao C.

2009

1 reference

https://api.crossref.org/works/10.1021/CI200428T

19 December 2024

Identifiers

DOI

10.1021/CI200428T

1 reference

31 July 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

31 July 2017

1 reference