(Q39512241)

12 September 2017

Target Flexibility in RNA-Ligand Docking Modeled by Elastic Potential Grids (English)

1 reference

12 September 2017

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900336%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

author name string

Dennis M Krüger

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900336%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Johannes Bergs

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900336%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Holger Gohlke

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900336%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

publication date

12 April 2011

1 reference

ACS Medicinal Chemistry Letters

12 September 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900336%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

volume

2

1 reference

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7 June 2020

issue

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900336%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

page(s)

489-493

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900336%20AND%20SRC:MED&resulttype=core&format=json

Molecular recognition of RNA: challenges for modelling interactions and plasticity

7 June 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

An improved PMF scoring function for universally predicting the interactions of a ligand with protein, DNA, and RNA.

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Docking to RNA via root-mean-square-deviation-driven energy minimization with flexible ligands and flexible targets

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

DrugScoreRNA--knowledge-based scoring function to predict RNA-ligand interactions

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

A semiempirical free energy force field with charge-based desolvation

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Protein-ligand docking: current status and future challenges

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

The ribosomal A-site as an inspiration for the design of RNA binders

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Conformational dynamics of RNA-peptide binding: a molecular dynamics simulation study

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Validation of an empirical RNA-ligand scoring function for fast flexible docking using Ribodock

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Molecular dynamics studies of the HIV-1 TAR and its complex with argininamide

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

A docking and modelling strategy for peptide-RNA complexes: applications to BIV Tat-TAR and HIV Rev-RBE.

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Automated docking of substrates to proteins by simulated annealing

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Analyzing the flexibility of RNA structures by constraint counting

12 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Calculation of ligand-nucleic acid binding free energies with the generalized-born model in DOCK.

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Identification of ligands for RNA targets via structure-based virtual screening: HIV-1 TAR.

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

HIV-1 TAR RNA Spontaneously Undergoes Relevant Apo-to-Holo Conformational Transitions in Molecular Dynamics and Constrained Geometrical Simulations

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Docking of aminoglycosides to hydrated and flexible RNA.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Knowledge-based scoring function to predict protein-ligand interactions.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Structure-based discovery of ligands targeted to the RNA double helix.

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4018104

Docking of cationic antibiotics to negatively charged pockets in RNA folds

21 August 2018

1 reference

12 December 2020

Flexible computational docking studies of new aminoglycosides targeting RNA 16S bacterial ribosome site

1 reference

12 December 2020

Conformation of the TAR RNA-Arginine Complex by NMR Spectroscopy

1 reference

12 December 2020

Elastic potential grids: accurate and efficient representation of intermolecular interactions for fully flexible docking

1 reference

12 December 2020

Modeling RNA-ligand interactions: the Rev-binding element RNA-aminoglycoside complex.

1 reference

12 December 2020

Identifiers

DOI

10.1021/ML100217H

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900336%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900336%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

PubMed publication ID

24900336

1 reference