(Q30576720)

14 August 2017

Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis (English)

1 reference

14 August 2017

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2

1 reference

25 June 2017

1

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author name string

Stephen H Bryant

series ordinal

3

1 reference

14 August 2017

7 November 2012

1 reference

Journal of Cheminformatics

14 August 2017

1 reference

14 August 2017

4

1 reference

14 August 2017

28

1 reference

14 August 2017

1

1 reference

Creative Commons Attribution 2.0 Generic

14 August 2017

start time

7 November 2012

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

exact match

https://scigraph.springernature.com/pub.10.1186/1758-2946-4-28

0 references

cites work

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Recognizing pitfalls in virtual screening: a critical review

20 June 2018

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20 June 2018

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20 June 2018

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20 June 2018

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PubChem3D: Biologically relevant 3-D similarity

20 June 2018

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PubChem3D: Shape compatibility filtering using molecular shape quadrupoles

20 June 2018

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PubChem3D: Similar conformers

20 June 2018

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PubChem3D: Diversity of shape

20 June 2018

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PubChem3D: Conformer generation

20 June 2018

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Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database

20 June 2018

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An overview of the PubChem BioAssay resource

20 June 2018

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Application of belief theory to similarity data fusion for use in analog searching and lead hopping

20 June 2018

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Comparison of topological, shape, and docking methods in virtual screening.

20 June 2018

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Assessment of conformational ensemble sizes necessary for specific resolutions of coverage of conformational space

20 June 2018

1 reference

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Molecular chaperones and protein quality control

20 June 2018

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New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching

20 June 2018

1 reference

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A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction

20 June 2018

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Pharmacophore modeling and three dimensional database searching for drug design using catalyst: recent advances

20 June 2018

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Combination of fingerprint-based similarity coefficients using data fusion

20 June 2018

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Pharmacophore modeling and three-dimensional database searching for drug design using catalyst

20 June 2018

1 reference

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Structural insights into substrate binding by the molecular chaperone DnaK

20 June 2018

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Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 1. Discovery, synthesis, biological activity, and structure-activity relationships of 4-guanidino- and 4-amino-4H-pyran-6-carboxamides

20 June 2018

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A fast and efficient method to generate biologically relevant conformations

20 June 2018

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Impact of conformational flexibility on three-dimensional similarity searching using correlation vectors

20 June 2018

1 reference

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Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations.

21 January 2018

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Fast and efficient in silico 3D screening: toward maximum computational efficiency of pharmacophore-based and shape-based approaches.

21 January 2018

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"Lead hopping". Validation of topomer similarity as a superior predictor of similar biological activities

21 January 2018

1 reference

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Measuring molecular similarity and diversity: total pharmacophore diversity

21 January 2018

1 reference

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21 January 2018

1 reference

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Systematic structure-based design and stereoselective synthesis of novel multisubstituted cyclopentane derivatives with potent antiinfluenza activity

21 January 2018

1 reference

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Comparison of 2D similarity and 3D superposition. Application to searching a conformational drug database.

21 January 2018

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21 January 2018

1 reference

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Ligand-based structural hypotheses for virtual screening

21 January 2018

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Assessment of scaffold hopping efficiency by use of molecular interaction fingerprints

21 January 2018

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Comparison of Shape-Matching and Docking as Virtual Screening Tools

21 January 2018

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Analysis and display of the size dependence of chemical similarity coefficients

21 January 2018

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12 December 2020

MIMUMBA revisited: torsion angle rules for conformer generation derived from X-ray structures

1 reference

12 December 2020

Performance of similarity measures in 2D fragment-based similarity searching: comparison of structural descriptors and similarity coefficients

1 reference

12 December 2020

Assessing the performance of OMEGA with respect to retrieving bioactive conformations

1 reference

12 December 2020

Parameterization and conformational sampling effects in pharmacophore multiplet searching

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12 December 2020

Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings

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12 December 2020

Measuring CAMD technique performance: a virtual screening case study in the design of validation experiments

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12 December 2020

Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results

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12 December 2020

Reproducing the conformations of protein-bound ligands: a critical evaluation of several popular conformational searching tools

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12 December 2020

A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape

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COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-28

PubChem: Integrated Platform of Small Molecules and Biological Activities

2 January 2022

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-28

2 January 2022

Identifiers

DOI

10.1186/1758-2946-4-28

1 reference

journals/jcheminf/KimBB12

14 August 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/1758-2946-4-28

PMCID

3537644

1 reference

14 August 2017

1 reference

PMCID

3537644