Estimation of ligand efficacies of metabotropic glutamate receptors from conformational forces obtained from molecular dynamics simulations.

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A consistent force field parameter set for zwitterionic amino acid residues.DIRECT-ID: An automated method to identify and quantify conformational variations--application to β2 -adrenergic GPCR.Cyclopropyl-containing positive allosteric modulators of metabotropic glutamate receptor subtype 5.

P2860

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P2860

Estimation of ligand efficacies of metabotropic glutamate receptors from conformational forces obtained from molecular dynamics simulations.

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http://www.wikidata.org/entity/Q36958036

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2013 nî lūn-bûn

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2013年の論文

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2013年論文

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2013年論文

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2013年論文

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2013年論文

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2013年論文

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2013年论文

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2013年论文

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2013年论文

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name

Estimation of ligand efficacie ...... olecular dynamics simulations.

@en

type

Item

label

Estimation of ligand efficacie ...... olecular dynamics simulations.

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prefLabel

Estimation of ligand efficacie ...... olecular dynamics simulations.

@en

P1476

Estimation of ligand efficacie ...... molecular dynamics simulations

@en

P2093

Alan I Faden

http://www.w3.org/2001/XMLSchema#string

Fengtian Xue

http://www.w3.org/2001/XMLSchema#string

Sirish Kaushik Lakkaraju

http://www.w3.org/2001/XMLSchema#string

P2860

Canonical dynamics: Equilibrium phase-space distributions

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

CHARMM: the biomolecular simulation program

Structural basis of glutamate recognition by a dimeric metabotropic glutamate receptor

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

Scalable molecular dynamics with NAMD

The metabotropic glutamate receptors: structure, activation mechanism and pharmacology

Molecular diversity of glutamate receptors and implications for brain function

Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

Statistical potential for assessment and prediction of protein structures

P304

1337-1349

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P31

scholarly article

P356

10.1021/CI400160X

http://www.w3.org/2001/XMLSchema#string

P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

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Alex MacKerell

P577

2013-05-21T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

23688150

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P932

3693859

http://www.w3.org/2001/XMLSchema#string

Estimation of ligand efficacies of metabotropic glutamate receptors from conformational forces obtained from molecular dynamics simulations.

about

P2860

P2860

Estimation of ligand efficacies of metabotropic glutamate receptors from conformational forces obtained from molecular dynamics simulations.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P932