(Q34457250)

2 August 2017

title

High-Throughput parallel blind Virtual Screening using BINDSURF. (English)

1 reference

2 August 2017

1 reference

José M García

4

0 references

José M Cecilia

object named as

José M Cecilia

series ordinal

3

0 references

Horacio Pérez-Sánchez

object named as

Horacio Pérez-Sánchez

series ordinal

2

0 references

author name string

Irene Sánchez-Linares

series ordinal

1

1 reference

2 August 2017

publication date

7 September 2012

1 reference

2 August 2017

1 reference

2 August 2017

volume

13 Suppl 14

1 reference

2 August 2017

page(s)

S13

1 reference

describes a project that uses

2 August 2017

PyMOL

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/efetch.fcgi?db=pmc&rettype=xml&id=PMC3504923

cites work

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1 reference

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Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations.

6 July 2018

1 reference

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How does a drug molecule find its target binding site?

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3504923

Challenges and advances in computational docking: 2009 in review

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3504923

Advances and challenges in protein-ligand docking

6 July 2018

1 reference

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Optimization methods for virtual screening on novel computational architectures

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3504923

Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3504923

Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase

6 July 2018

1 reference

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Flexible side chain models improve enrichment rates in in silico screening

6 July 2018

1 reference

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Improving accuracy and efficiency of blind protein-ligand docking by focusing on predicted binding sites.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3504923

Benchmarking sets for molecular docking

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3504923

Structural basis of the drug-binding specificity of human serum albumin

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3504923

The many roles of computation in drug discovery

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3504923

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

6 July 2018

1 reference

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Efficient docking of peptides to proteins without prior knowledge of the binding site

6 July 2018

1 reference

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DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

6 July 2018

1 reference

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6 July 2018

The Protein Data Bank

1 reference

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Large-scale protein structure modeling of the Saccharomyces cerevisiae genome

6 July 2018

1 reference

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Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.

6 July 2018

1 reference

Crossref

https://api.crossref.org/works/10.1186%2F1471-2105-13-S14-S13

Identification of cavities on protein surface using multiple computational approaches for drug binding site prediction.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3504923

An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3504923

In Silico Receptorome Screening of Antipsychotic Drugs

27 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23095663

12 December 2020

inferred from PubMed ID database lookup

Identifiers

DOI

10.1186/1471-2105-13-S14-S13

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/ep5jppmucbb55nafsqardwu2em

30 July 2022

journals/bmcbi/Sanchez-LinaresSCG12

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1017607591

0 references

Fatcat ID

release_ep5jppmucbb55nafsqardwu2em

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/ep5jppmucbb55nafsqardwu2em

30 July 2022

https://api.fatcat.wiki/v0/release/ep5jppmucbb55nafsqardwu2em

1 reference

30 July 2022

https://api.fatcat.wiki/v0/release/ep5jppmucbb55nafsqardwu2em

1 reference

30 July 2022