Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles (Q33573726)

28 July 2017

title

Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles (English)

1 reference

28 July 2017

3

Ruben Abagyan

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Irina Kufareva

object named as

Irina Kufareva

series ordinal

2

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author name string

So-Jung Park

series ordinal

1

1 reference

28 July 2017

publication date

9 May 2010

1 reference

Journal of Computer - Aided Molecular Design

28 July 2017

published in

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28 July 2017

volume

24

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28 July 2017

issue

5

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28 July 2017

page(s)

459-471

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Predicting new molecular targets for known drugs

28 July 2017

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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Structure of the ligand-binding domain of oestrogen receptor beta in the presence of a partial agonist and a full antagonist

21 June 2018

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21 June 2018

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Flexible protein-ligand docking by global energy optimization in internal coordinates.

21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 June 2018

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21 January 2018

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Ab initio fragment molecular orbital study of molecular interactions in liganded retinoid X receptor: specification of residues associated with ligand inducible information transmission

31 October 2018

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31 October 2018

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31 October 2018

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Determinants of spironolactone binding specificity in the mineralocorticoid receptor

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2881208

Recent advances in systemic therapy for breast cancer

31 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20455005

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20455005

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Atomic property fields: generalized 3D pharmacophoric potential for automated ligand superposition, pharmacophore elucidation and 3D QSAR

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20455005

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-010-9362-4

1 reference

28 July 2017

DBLP publication ID

journals/jcamd/ParkKA10

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

28 July 2017

1 reference