(Q34402706)

1 August 2017

title

ALiBERO: evolving a team of complementary pocket conformations rather than a single leader (English)

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1 August 2017

3

Ruben Abagyan

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author name string

Manuel Rueda

series ordinal

1

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1 August 2017

Max Totrov

series ordinal

2

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1 August 2017

publication date

17 September 2012

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Journal of Chemical Information and Modeling

1 August 2017

published in

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1 August 2017

volume

52

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1 August 2017

issue

10

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1 August 2017

page(s)

2705-2714

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Docking and scoring with ICM: the benchmarking results and strategies for improvement

1 August 2017

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

1 reference

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6 July 2018

1 reference

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6 July 2018

1 reference

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Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins

6 July 2018

1 reference

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Ligand-guided optimization of CXCR4 homology models for virtual screening using a multiple chemotype approach.

6 July 2018

1 reference

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Ensemble docking into multiple crystallographically derived protein structures: an evaluation based on the statistical analysis of enrichments

27 October 2018

1 reference

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Four-dimensional docking: a fast and accurate account of discrete receptor flexibility in ligand docking

27 October 2018

1 reference

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Protein-ligand docking against non-native protein conformers

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3478405

Pyrazolo-triazolo-pyrimidines as adenosine receptor antagonists: Effect of the N-5 bond type on the affinity and selectivity at the four adenosine receptor subtypes

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3478405

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE).

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3478405

Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3478405

Supervised consensus scoring for docking and virtual screening.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3478405

Representing receptor flexibility in ligand docking through relevant normal modes.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3478405

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

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3478405

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

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3478405

27 October 2018

Identifiers

DOI

10.1021/CI3001088

1 reference

1 August 2017

DBLP publication ID

journals/jcisd/RuedaTA12

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

1 August 2017

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