(Q30884784)

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DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening

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Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19912625%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

1 reference

Europe PubMed Central

DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening (English)

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19912625%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

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inferred from title

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Europe PubMed Central

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12 February 2020

4

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19912625%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

Bruno O Villoutreix

3

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Bruno O Villoutreix

1 reference

Europe PubMed Central

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12 February 2020

author name string

David Lagorce

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Europe PubMed Central

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12 February 2020

publication date

13 November 2009

1 reference

Europe PubMed Central

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12 February 2020

BMC Chemical Biology

1 reference

Europe PubMed Central

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12 February 2020

9

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Europe PubMed Central

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12 February 2020

6

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19912625%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

https://scigraph.springernature.com/pub.10.1186/1472-6769-9-6

0 references

MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

Essential factors for successful virtual screening

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

Small molecule conformational preferences derived from crystal structure data. A medicinal chemistry focused analysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

Virtual screening strategies in drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

Frog: a FRee Online druG 3D conformation generator.

1 reference

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21 June 2018

Receptor-based computational screening of compound databases: the main docking-scoring engines

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

FAF-Drugs: free ADME/tox filtering of compound collections.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

1 reference

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21 June 2018

Virtual screening of chemical libraries

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

VEGA – An open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

High-throughput docking as a source of novel drug leads

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

The Cambridge Structural Database: a quarter of a million crystal structures and rising

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

25 November 2018

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

Molecular mechanics calculations on Rous sarcoma virus protease with peptide substrates

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

Use of augmented Lagrangians in the calculation of molecular conformations by distance geometry.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

21 June 2018

How similar are similarity searching methods? A principal component analysis of molecular descriptor space

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

25 November 2018

Generating conformer ensembles using a multiobjective genetic algorithm

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

25 November 2018

CAESAR: a new conformer generation algorithm based on recursive buildup and local rotational symmetry consideration

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

25 November 2018

Diverse, high-quality test set for the validation of protein-ligand docking performance.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

25 November 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

25 November 2018

Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

25 November 2018

Tork: Conformational analysis method for molecules and complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

25 November 2018

Conformational analysis using distance geometry methods.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2781789

25 November 2018

Assessing the performance of OMEGA with respect to retrieving bioactive conformations

1 reference

https://pubmed.ncbi.nlm.nih.gov/19912625

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/19912625

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

28 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

Identifiers

10.1186/1472-6769-9-6

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19912625%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

Dimensions Publication ID

0 references

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19912625%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19912625%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

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