(Q27667324)

3

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Ruth Brenk

object named as

Ruth Brenk

7

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Robert T Batey

object named as

Robert T Batey

6

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author name string

Peter Daldrop

1

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Francis E Reyes

2

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David M Lilley

One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening

5

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publication date

25 March 2011

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published in

Chemistry and Biology

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volume

18

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issue

3

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page(s)

324-35

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cites work

1 reference

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Adaptive Ligand Binding by the Purine Riboswitch in the Recognition of Guanine and Adenine Analogs

20 March 2017

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DOCK 6: combining techniques to model RNA-small molecule complexes

20 March 2017

1 reference

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A model binding site for testing scoring functions in molecular docking

20 March 2017

1 reference

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Flexible ligand docking using conformational ensembles

20 March 2017

1 reference

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REFMAC5 dictionary: organization of prior chemical knowledge and guidelines for its use

20 March 2017

1 reference

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Coot: model-building tools for molecular graphics

20 March 2017

1 reference

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The CCP4 suite: programs for protein crystallography

20 March 2017

1 reference

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PRODRG: a tool for high-throughput crystallography of protein-ligand complexes

20 March 2017

1 reference

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Virtual screening: an endless staircase?

20 March 2017

1 reference

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Docking ligands into flexible and solvated macromolecules. 4. Are popular scoring functions accurate for this class of proteins?

20 March 2017

1 reference

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Structural basis for discriminative regulation of gene expression by adenine- and guanine-sensing mRNAs

20 March 2017

1 reference

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Structure of a natural guanine-responsive riboswitch complexed with the metabolite hypoxanthine

20 March 2017

1 reference

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Adenine riboswitches and gene activation by disruption of a transcription terminator

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Novel riboswitch ligand analogs as selective inhibitors of guanine-related metabolic pathways

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Interaction of antibiotics with functional sites in 16S ribosomal RNA

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Improved ligand-protein binding affinity predictions using multiple binding modes

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

A medicinal chemist's guide to molecular interactions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

A fragment-based approach to identifying ligands for riboswitches

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Determination of riboswitch structures: light at the end of the tunnel?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Molecular recognition of RNA: challenges for modelling interactions and plasticity

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Docking screens: right for the right reasons?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Design and antimicrobial action of purine analogues that bind Guanine riboswitches

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Roseoflavin is a natural antibacterial compound that binds to FMN riboswitches and regulates gene expression

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Lessons learnt from assembling screening libraries for drug discovery for neglected diseases

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Molecular modeling of hydration in drug design.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Structures of RNA switches: insight into molecular recognition and tertiary structure

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Riboswitches as antibacterial drug targets

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Folding of the adenine riboswitch

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Virtual ligand screening: strategies, perspectives and limitations

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Probing molecular docking in a charged model binding site

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Structure-based drug design meets the ribosome

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

RNA structure: the long and the short of it.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Statistical potentials and scoring functions applied to protein-ligand binding

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Strategies for the Design of Drugs Targeting RNA and RNA-Protein Complexes

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Fluorescence polarization method to characterize macrolide-ribosome interactions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

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

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Evaluation of pKa estimation methods on 211 druglike compounds.

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

The effect of ligand-based tautomer and protomer prediction on structure-based virtual screening

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Design and implementation of an ribonucleic acid (RNA) directed fragment library.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

The RFN riboswitch of Bacillus subtilis is a target for the antibiotic roseoflavin produced by Streptomyces davawensis

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Identification of novel ligands for the RNA pseudoknot that regulate -1 ribosomal frameshifting

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

High quality binding modes in docking ligands to proteins.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Modified Pyrimidines Specifically Bind the Purine Riboswitch

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Docking of aminoglycosides to hydrated and flexible RNA.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Validation of automated docking programs for docking and database screening against RNA drug targets

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Virtual screening using protein-ligand docking: avoiding artificial enrichment.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Ligand-based structural hypotheses for virtual screening

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3119931

Targeting RNA with small molecules

27 November 2018

1 reference

12 December 2020

Comparison of nine programs predicting pK(a) values of pharmaceutical substances

1 reference

12 December 2020

Accuracy assessment of protein-based docking programs against RNA targets

1 reference

12 December 2020

Processing of X-ray diffraction data collected in oscillation mode

1 reference

12 December 2020

10.1016/J.CHEMBIOL.2010.12.020

Identifiers

DOI

1 reference

1 reference

1 reference

PubMed publication ID

21439477

1 reference