G protein-coupled receptors: in silico drug discovery in 3D. (Q37388375)

20 August 2017

G protein-coupled receptors: in silico drug discovery in 3D. (English)

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G protein-coupled receptor

20 August 2017

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in silico drug discovery

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Oren M Becker

1

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20 August 2017

Yael Marantz

2

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20 August 2017

Sharon Shacham

3

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20 August 2017

Boaz Inbal

4

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20 August 2017

Alexander Heifetz

5

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20 August 2017

Ori Kalid

6

1 reference

20 August 2017

Shay Bar-Haim

7

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20 August 2017

Dora Warshaviak

8

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20 August 2017

Merav Fichman

9

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20 August 2017

Silvia Noiman

10

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20 August 2017

language of work or name

English

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publication date

26 July 2004

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Proceedings of the National Academy of Sciences of the United States of America

20 August 2017

6

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based on heuristic

inferred from page(s)

published in

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20 August 2017

101

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20 August 2017

31

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20 August 2017

11304-11309

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Modeling the 3D structure of GPCRs: advances and application to drug discovery

20 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Sequence analyses of G-protein-coupled receptors: similarities to rhodopsin

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Structure modeling of the chemokine receptor CCR5: implications for ligand binding and selectivity

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Virtual screening to enrich hit lists from high-throughput screening: a case study on small-molecule inhibitors of angiogenin.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Integration of virtual and high-throughput screening

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Drug design strategies for targeting G-protein-coupled receptors

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Structure-based screening as applied to human FABP4: a highly efficient alternative to HTS for hit generation

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Prediction of structure and function of G protein-coupled receptors

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

The tachykinin peptide family

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

The structural basis of G-protein-coupled receptor function and dysfunction in human diseases

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Identification of nonpeptidic urotensin II receptor antagonists by virtual screening based on a pharmacophore model derived from structure-activity relationships and nuclear magnetic resonance studies on urotensin II.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

The binding site of aminergic G protein-coupled receptors: the transmembrane segments and second extracellular loop

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

How does consensus scoring work for virtual library screening? An idealized computer experiment

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Modeling the 3D structure of GPCRs from sequence

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Screening of drug candidates for their drug--drug interaction potential

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Structural mimicry in G protein-coupled receptors: implications of the high-resolution structure of rhodopsin for structure-function analysis of rhodopsin-like receptors

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

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

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Orphan G-protein coupled receptors: novel drug targets for the pharmaceutical industry

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Crystal structure of rhodopsin: A G protein-coupled receptor

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Molecular manipulation of G-protein-coupled receptors: a new avenue into drug discovery

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Exploration of the ligand binding site of the human 5-HT(4) receptor by site-directed mutagenesis and molecular modeling

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Molecular genetics of human retinal disease

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

A review of central 5-HT receptors and their function

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Structure of bacteriorhodopsin at 1.55 A resolution

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

GPCRDB: an information system for G protein-coupled receptors

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

X-ray structure of bacteriorhodopsin at 2.5 angstroms from microcrystals grown in lipidic cubic phases

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

A reduced representation of proteins for use in restraint satisfaction calculations

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Tertiary templates for proteins. Use of packing criteria in the enumeration of allowed sequences for different structural classes

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

6 September 2017

Central 5-HT4 receptors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

5-HT1A receptor agonists: recent developments and controversial issues

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Proline-induced constraints in alpha-helices

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

The role of conserved aspartate and serine residues in ligand binding and in function of the 5-HT1A receptor: a site-directed mutation study

26 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=509175

Protein-based virtual screening of chemical databases. II. Are homology models of G-Protein Coupled Receptors suitable targets?

26 June 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0401862101

Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0401862101

Residue-residue potentials with a favorable contact pair term and an unfavorable high packing density term, for simulation and threading.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0401862101

Influence of cation–π interactions in different folding types of membrane proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0401862101

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0401862101

All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0401862101

Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0401862101

Performance of 3D-database molecular docking studies into homology models

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0401862101

Discovery of potent and selective phenylalanine derived CCR3 receptor antagonists. Part 2.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0401862101

Membrane protein association by potential intrarnembrane charge pairs

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0401862101

Interhelical hydrogen bonding drives strong interactions in membrane proteins

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/15277683

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Intrahelical hydrogen bonding of serine, threonine and cysteine residues within alpha-helices and its relevance to membrane-bound proteins

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/15277683

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.0401862101

1 reference

20 August 2017

0 references

1 reference

20 August 2017

1 reference