(Q56979477)

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Exploring the recognition pathway at the human A2A adenosine receptor of the endogenous agonist adenosine using supervised molecular dynamics simulations

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Exploring the recognition pathway at the human A2A adenosine receptor of the endogenous agonist adenosine using supervised molecular dynamics simulations (English)

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Giuseppe Deganutti

object named as

Giuseppe Deganutti

3

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Davide Sabbadin

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Davide Sabbadin

1

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Antonella Ciancetta

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Antonella Ciancetta

2

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Stefano Moro

5

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author name string

Alberto Cuzzolin

4

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publication date

2015

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6

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6

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1081-1085

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Adenosine receptors as therapeutic targets

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Adenosine in the central nervous system: release mechanisms and extracellular concentrations

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https://api.crossref.org/works/10.1039%2FC5MD00016E

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Fine-tuning neuromodulation by adenosine

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International Union of Basic and Clinical Pharmacology. LXXXI. Nomenclature and classification of adenosine receptors--an update

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https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

Agonist-bound adenosine A2A receptor structures reveal common features of GPCR activation

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https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

Supervised molecular dynamics (SuMD) as a helpful tool to depict GPCR-ligand recognition pathway in a nanosecond time scale.

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https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

Role of the extracellular loops of G protein-coupled receptors in ligand recognition: a molecular modeling study of the human P2Y1 receptor.

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https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

Structural and energetic effects of A2A adenosine receptor mutations on agonist and antagonist binding

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https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

VMD: visual molecular dynamics

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21 January 2018

Wordom: a user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces

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https://api.crossref.org/works/10.1039%2FC5MD00016E

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Development and current status of the CHARMM force field for nucleic acids.

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

Scalable molecular dynamics with NAMD

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

The Protein Data Bank

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https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

The Universal Protein Resource (UniProt) in 2010

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21 January 2018

Infrastructure for the life sciences: design and implementation of the UniProt website

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Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

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21 January 2018

Protonate3D: assignment of ionization states and hydrogen coordinates to macromolecular structures

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21 January 2018

OPM: orientations of proteins in membranes database

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21 January 2018

Comparison of simple potential functions for simulating liquid water

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https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing.

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

Automation of the CHARMM General Force Field (CGenFF) II: assignment of bonded parameters and partial atomic charges.

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https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

GridMAT-MD: a grid-based membrane analysis tool for use with molecular dynamics

1 reference

https://api.crossref.org/works/10.1039%2FC5MD00016E

21 January 2018

Identifiers

10.1039/C5MD00016E

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