(Q28484505)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23094046%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

title

Hybrid molecular mechanics/coarse-grained simulations for structural prediction of G-protein coupled receptor/ligand complexes (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23094046%20AND%20SRC:MED&resulttype=core&format=json

G protein-coupled receptor

16 February 2020

main subject

0 references

author

Alejandro Giorgetti

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23094046%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

Michael Leguèbe

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23094046%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

Chuong Nguyen

2

1 reference

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16 February 2020

Paolo Carloni

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23094046%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

author name string

Luciana Capece

3

1 reference

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16 February 2020

Zung Hoang

4

1 reference

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16 February 2020

language of work or name

English

0 references

publication date

19 October 2012

1 reference

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16 February 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23094046%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

volume

7

1 reference

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16 February 2020

issue

10

1 reference

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16 February 2020

page(s)

e47332

1 reference

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Creative Commons Attribution 4.0 International

16 February 2020

copyright license

start time

19 October 2012

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Predicting novel binding modes of agonists to β adrenergic receptors using all-atom molecular dynamics simulations

1 reference

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High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor

19 March 2017

1 reference

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A consensus view of protein dynamics

19 March 2017

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How many drug targets are there?

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Comparative protein modelling by satisfaction of spatial restraints

19 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Insights into the binding of Phenyltiocarbamide (PTC) agonist to its target human TAS2R38 bitter receptor

19 March 2017

1 reference

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A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6

19 March 2017

1 reference

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Capturing the essence of folding and functions of biomolecules using coarse-grained models

7 April 2017

1 reference

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Multiscale simulations suggest a mechanism for integrin inside-out activation

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Structural insights into agonist-induced activation of G-protein-coupled receptors

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Homology modeling of G-protein-coupled receptors with X-ray structures on the rise

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Conserved water-mediated hydrogen bond network between TM-I, -II, -VI, and -VII in 7TM receptor activation

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Conserved waters mediate structural and functional activation of family A (rhodopsin-like) G protein-coupled receptors

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Microseconds dynamics simulations of the outer-membrane protease T

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Speeding up parallel GROMACS on high-latency networks

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Multiscale modeling of biomolecular systems: in serial and in parallel

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

G protein-coupled time travel: evolutionary aspects of GPCR research

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Pharmacogenetics of the human beta-adrenergic receptors

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

The GROMOS software for biomolecular simulation: GROMOS05.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Structural dynamics of the lac repressor-DNA complex revealed by a multiscale simulation

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Molecular and stochastic dynamics of proteins

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

The MARTINI Coarse-Grained Force Field: Extension to Proteins.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Multiscale simulations of protein landscapes: using coarse-grained models as reference potentials to full explicit models

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Noninteracting local‐structure model of folding and unfolding transition in globular proteins. I. Formulation

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Noninteracting local‐structure model of folding and unfolding transition in globular proteins. II. Application to two‐dimensional lattice proteins

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477165

Mixed atomistic and coarse-grained molecular dynamics: simulation of a membrane-bound ion channel

27 November 2018

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12 December 2020

An accurate and simple quantum model for liquid water

1 reference

12 December 2020

Coarse-Grained Model of Proteins Incorporating Atomistic Detail of the Active Site

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12 December 2020

The membrane complex between transducin and dark-state rhodopsin exhibits large-amplitude interface dynamics on the sub-microsecond timescale: insights from all-atom MD simulations

1 reference

12 December 2020

10.1371/JOURNAL.PONE.0047332

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23094046%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23094046%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23094046%20AND%20SRC:MED&resulttype=core&format=json