(Q45846360)

16 December 2017

title

Mechanistic insights into Pin1 peptidyl-prolyl cis-trans isomerization from umbrella sampling simulations (English)

1 reference

16 December 2017

Matteo Masetti

2

0 references

author name string

Giovanni Paolo Di Martino

series ordinal

1

1 reference

16 December 2017

Andrea Cavalli

series ordinal

3

1 reference

16 December 2017

Maurizio Recanatini

series ordinal

4

1 reference

16 December 2017

language of work or name

English

0 references

publication date

11 August 2014

1 reference

16 December 2017

published in

Proteins

1 reference

16 December 2017

volume

82

1 reference

16 December 2017

issue

11

1 reference

16 December 2017

page(s)

2943-2956

1 reference

16 December 2017

The prolyl isomerase PIN1: a pivotal new twist in phosphorylation signalling and disease

cites work

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Protein phosphorylation in signaling--50 years and counting

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Is peptide bond cis/trans isomerization a key stage in the chemo-mechanical cycle of motor proteins?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Complete determination of the Pin1 catalytic domain thermodynamic cycle by NMR lineshape analysis.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Prolyl cis-trans isomerization as a molecular timer

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Molecular mechanisms of the phospho-dependent prolyl cis/trans isomerase Pin1.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Pinning down proline-directed phosphorylation signaling

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Structural and functional analysis of the mitotic rotamase Pin1 suggests substrate recognition is phosphorylation dependent

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Sequence-specific and phosphorylation-dependent proline isomerization: a potential mitotic regulatory mechanism

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Mapping the dynamics of ligand reorganization via 13CH3 and 13CH2 relaxation dispersion at natural abundance

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Insights into the catalytic mechanism of peptidyl prolyl cis/trans isomerases

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

The prolyl isomerase Pin1 regulates amyloid precursor protein processing and amyloid-beta production

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Prolyl isomerase Pin1: a catalyst for oncogenesis and a potential therapeutic target in cancer

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

PIN1, the cell cycle and cancer.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Functionally important residues in the peptidyl-prolyl isomerase Pin1 revealed by unigenic evolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

How does Pin1 catalyze the cis-trans prolyl peptide bond isomerization? A QM/MM and mean reaction force study.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Conformation-directed catalysis and coupled enzyme-substrate dynamics in Pin1 phosphorylation-dependent cis-trans isomerase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Structural Basis for High-Affinity Peptide Inhibition of Human Pin1

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Revised TIPS for simulations of liquid water and aqueous solutions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Reoptimization of the AMBER force field parameters for peptide bond (Omega) torsions using accelerated molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Trans-cis switching mechanisms in proline analogues and their relevance for the gating of the 5-HT3 receptor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Intra- and intermolecular interaction inducing pyramidalization on both sides of a proline dipeptide during isomerization: an ab initio QM/MM molecular dynamics simulation study in explicit water

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Absolute binding free energy calculations using molecular dynamics simulations with restraining potentials

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

The flexibility in the proline ring couples to the protein backbone

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Preferred proline puckerings in cis and trans peptide groups: implications for collagen stability

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Mechanism of action of cyclophilin a explored by metadynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Theoretical and experimental investigation of the energetics of cis-trans proline isomerization in peptide models

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Crystal structure of cyclophilin A complexed with substrate Ala-Pro suggests a solvent-assisted mechanism of cis-trans isomerization

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Explaining why Gleevec is a specific and potent inhibitor of Abl kinase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24650

21 January 2018

Identifiers

DOI

10.1002/PROT.24650

1 reference

16 December 2017

1 reference

16 December 2017