Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics (Q34181800)

31 July 2017

Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics (English)

1 reference

31 July 2017

3

Klaus Schulten

1 reference

31 July 2017

2

Emad Tajkhorshid

1 reference

31 July 2017

Paul Grayson

1

1 reference

PubMed ID

12829462

31 July 2017

language of work or name

English

0 references

publication date

1 July 2003

1 reference

31 July 2017

13

1 reference

based on heuristic

inferred from page(s)

published in

Biophysical Journal

1 reference

31 July 2017

85

1 reference

31 July 2017

1

1 reference

31 July 2017

36-48

1 reference

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

31 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

A new ATP-binding fold in actin, hexokinase and Hsc70.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Structure and function of water channels.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Pressure-induced water transport in membrane channels studied by molecular dynamics

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Computational studies of the gramicidin channel

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Aquaporin water channels: atomic structure molecular dynamics meet clinical medicine

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Towards a general model for protein-substrate stereoselectivity

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Energetics of glycerol conduction through aquaglyceroporin GlpF.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Control of the selectivity of the aquaporin water channel family by global orientational tuning

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Water transporters: how so fast yet so selective?

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Structural basis of water-specific transport through the AQP1 water channel

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Water permeation across biological membranes: mechanism and dynamics of aquaporin-1 and GlpF.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

The mechanism of glycerol conduction in aquaglyceroporins.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

A refined structure of human aquaporin-1

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Atomic structure of a glycerol channel and implications for substrate permeation in aqua(glycero)porins.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Glycerol kinase deficiency: evidence for complexity in a single gene disorder

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Steered molecular dynamics investigations of protein function.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Reverse genetics of Escherichia coli glycerol kinase allosteric regulation and glucose control of glycerol utilization in vivo

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Steered molecular dynamics and mechanical functions of proteins

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Structure of a glycerol-conducting channel and the basis for its selectivity

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Structural determinants of water permeation through aquaporin-1

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Cellular and molecular biology of the aquaporin water channels

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Mechanical unfolding intermediates in titin modules.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Steered molecular dynamics simulation of the Rieske subunit motion in the cytochrome bc(1) complex

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Crystal structures of Escherichia coli glycerol kinase variant S58-->W in complex with nonhydrolyzable ATP analogues reveal a putative active conformation of the enzyme as a result of domain motion

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Unbinding of retinoic acid from its receptor studied by steered molecular dynamics

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Crystal structure of a complex of Escherichia coli glycerol kinase and an allosteric effector fructose 1,6-bisphosphate

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Glycerol kinase from Escherichia coli and an Ala65-->Thr mutant: the crystal structures reveal conformational changes with implications for allosteric regulation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Unfolding of titin immunoglobulin domains by steered molecular dynamics simulation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Molecular dynamics study of unbinding of the avidin-biotin complex

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

VMD: visual molecular dynamics

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Ligand binding: molecular mechanics calculation of the streptavidin-biotin rupture force

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Glycerol kinase of Escherichia coli is activated by interaction with the glycerol facilitator

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Structure of the regulatory complex of Escherichia coli IIIGlc with glycerol kinase

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Cation-promoted association of a regulatory and target protein is controlled by protein phosphorylation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Glycerol kinase, the pacemaker for the dissimilation of glycerol in Escherichia coli

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Importance of Facilitated Diffusion for Effective Utilization of Glycerol by Escherichia coli

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Signal transduction by the bacterial phosphotransferase system. Diauxie and the crr gene (J. Monod revisited).

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Molecular dynamics study of aquaporin-1 water channel in a lipid bilayer.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Preliminary crystallographic study of Thermus aquaticus glycerol kinase

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303063

Climatic impact of tropical lowland deforestation on nearby montane cloud forests

28 October 2018

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974452-X

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974452-X

X-Ray structure of glycerol kinase complexed with an ATP analog implies a novel mechanism for the ATP-dependent glycerol phosphorylation by glycerol kinase

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974452-X

Conserved active site aspartates and domain-domain interactions in regulatory properties of the sugar kinase superfamily

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974452-X

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974452-X

Investigating a back door mechanism of actin phosphate release by steered molecular dynamics

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974452-X

Catalytic and Allosteric Properties of Glycerol Kinase from Escherichia coli

7 January 2021

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/12829462

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

MDScope — a visual computing environment for structural biology

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1016/0010-4655(95)00045-H

10.1016/S0006-3495(03)74452-X

22 October 2022

Identifiers

DOI

1 reference

31 July 2017

1 reference

31 July 2017

1 reference

PubMed ID

12829462