(Q35052011)

6 August 2017

Using metadynamics to understand the mechanism of calmodulin/target recognition at atomic detail (English)

1 reference

6 August 2017

4

M Parrinello

1 reference

6 August 2017

G Fiorin

1

1 reference

6 August 2017

A Pastore

series ordinal

2

1 reference

6 August 2017

P Carloni

series ordinal

3

1 reference

6 August 2017

language of work or name

English

0 references

publication date

28 July 2006

1 reference

6 August 2017

1 reference

6 August 2017

91

1 reference

6 August 2017

8

1 reference

6 August 2017

2768-2777

1 reference

Binding of phosphinate and phosphonate inhibitors to aspartic proteases: a first-principles study

6 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Genetic polymorphism and protein conformational plasticity in the calmodulin superfamily: two ways to promote multifunctionality

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Flexible docking in solution using metadynamics

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Structure, dynamics and interaction with kinase targets: computer simulations of calmodulin

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Force fields for protein simulations

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Exploring the origins of binding specificity through the computational redesign of calmodulin

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

The Xplor-NIH NMR molecular structure determination package

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Dynamics and entropy of a calmodulin-peptide complex studied by NMR and molecular dynamics

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Escaping free-energy minima

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Calmodulin in action: diversity in target recognition and activation mechanisms.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Calcium signaling: a tale for all seasons

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Ca2+-independent binding of an EF-hand domain to a novel motif in the alpha-actinin-titin complex

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Redistribution and loss of side chain entropy upon formation of a calmodulin-peptide complex

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Activation of calcineurin and smooth muscle myosin light chain kinase by Met-to-Leu mutants of calmodulin

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

VMD: visual molecular dynamics

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

The energetics and dynamics of molecular recognition by calmodulin

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Recovery of native structure by calcium binding site mutants of calmodulin upon binding of sk-MLCK target peptides.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Molecular and structural basis of target recognition by calmodulin.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Calcium-binding proteins 1: EF-hands.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

How calmodulin binds its targets: sequence independent recognition of amphiphilic alpha-helices

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Backbone dynamics of calmodulin studied by 15N relaxation using inverse detected two-dimensional NMR spectroscopy: the central helix is flexible.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Solution structure of a calmodulin-target peptide complex by multidimensional NMR

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Target enzyme recognition by calmodulin: 2.4 A structure of a calmodulin-peptide complex

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Calmodulin structure refined at 1.7 A resolution

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

The role of the peripheral anionic site and cation-pi interactions in the ligand penetration of the human AChE gorge

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion.

25 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein–ligand complexes

25 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics.

25 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Energetics of target peptide binding by calmodulin reveals different modes of binding

25 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

The effect of Met-->Leu mutations on calmodulin's ability to activate cyclic nucleotide phosphodiesterase.

25 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Activation of skeletal muscle myosin light chain kinase by calcium(2+) and calmodulin.

25 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Reconstitution of Calmodulin from Domains and Subdomains: Influence of Target Peptide

25 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1578468

Assessing the Accuracy of Metadynamics†

9 December 2018

1 reference

12 December 2020

Energetics of target peptide recognition by calmodulin: a calorimetric study

1 reference

12 December 2020

A modified version of the Cornell et al. force field with improved sugar pucker phases and helical repeat

1 reference

12 December 2020

Effects of pH, ionic strength, and temperature on activation by calmodulin an catalytic activity of myosin light chain kinase

1 reference

12 December 2020

Molecular dynamics simulations of calcium-free calmodulin in solution

1 reference

12 December 2020

Unwinding the helical linker of calcium-loaded calmodulin: a molecular dynamics study

1 reference

12 December 2020

Ca(2+) binding and energy coupling in the calmodulin-myosin light chain kinase complex

1 reference

12 December 2020

Activation of myosin light chain kinase and nitric oxide synthase activities by calmodulin fragments

1 reference

12 December 2020

May the driving force be with you--whatever it is

1 reference

12 December 2020

Methionine to glutamine substitutions in the C-terminal domain of calmodulin impair the activation of three protein kinases

1 reference

12 December 2020

The VMD-XPLOR visualization package for NMR structure refinement

1 reference

12 December 2020

Systematic delineation of a calmodulin peptide interaction

1 reference

12 December 2020

Calmodulin target database

1 reference

12 December 2020

10.1529/BIOPHYSJ.106.086611

Identifiers

DOI

1 reference

6 August 2017

1 reference

6 August 2017

1 reference