(Q31112340)

28 June 2017

title

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

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28 June 2017

S David Morley

1

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28 June 2017

Mohammad Afshar

series ordinal

2

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28 June 2017

publication date

1 March 2004

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Journal of Computer - Aided Molecular Design

28 June 2017

published in

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28 June 2017

volume

18

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28 June 2017

issue

3

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28 June 2017

page(s)

189-208

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Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic "hot spots"

28 June 2017

cites work

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12 December 2020

Structure-based drug design targeting an inactive RNA conformation: exploiting the flexibility of HIV-1 TAR RNA.

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12 December 2020

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

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12 December 2020

Docking of cationic antibiotics to negatively charged pockets in RNA folds

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12 December 2020

A structure-based strategy to identify new molecular scaffolds targeting the bacterial ribosomal A-site

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12 December 2020

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

1 reference

12 December 2020

The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

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12 December 2020

Structure, recognition and adaptive binding in RNA aptamer complexes

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12 December 2020

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

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12 December 2020

Placement of medium-sized molecular fragments into active sites of proteins.

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12 December 2020

The bacterial ribosome, a promising focus for structure-based drug design

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12 December 2020

The structure of the human immunodeficiency virus type-1 TAR RNA reveals principles of RNA recognition by Tat protein

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12 December 2020

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12 December 2020

Adaptive recognition by nucleic acid aptamers

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12 December 2020

Structure of TAR RNA complexed with a Tat-TAR interaction nanomolar inhibitor that was identified by computational screening

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12 December 2020

Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities

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12 December 2020

Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

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12 December 2020

Virtual screening and fast automated docking methods.

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12 December 2020

Lead discovery using molecular docking

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12 December 2020

The structural basis for the action of the antibiotics tetracycline, pactamycin, and hygromycin B on the 30S ribosomal subunit

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12 December 2020

Structural basis of ligand discrimination by two related RNA aptamers resolved by NMR spectroscopy

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12 December 2020

Databases for protein-ligand complexes

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12 December 2020

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

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12 December 2020

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

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12 December 2020

Structure-based and combinatorial search for new RNA-binding drugs

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Drug-like annotation and duplicate analysis of a 23-supplier chemical database totalling 2.7 million compounds

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12 December 2020

Functional insights from the structure of the 30S ribosomal subunit and its interactions with antibiotics

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12 December 2020

Specificity of aminoglycoside binding to RNA constructs derived from the 16S rRNA decoding region and the HIV-RRE activator region

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12 December 2020

Binding site characteristics in structure-based virtual screening: evaluation of current docking tools

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12 December 2020

A new test set for validating predictions of protein-ligand interaction.

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12 December 2020

Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs

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Investigating the high affinity and low sequence specificity of calmodulin binding to its targets

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12 December 2020

10.1023/B:JCAM.0000035199.48747.1E

Identifiers

DOI

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28 June 2017

DBLP publication ID

journals/jcamd/MorleyA04

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1047573114

0 references

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