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Understanding the Phosphorylation Mechanism by Using Quantum Chemical Calculations and Molecular Dynamics Simulations

auteur

Dong Xu

gepubliceerd in: Journal of Physical Chemistry B

publicatiedatum: 2016-12-15

taal: Engels

belangrijk thema: moleculaire dynamica, fosforylering

Cites articles 48

Date

Titel

Auteurs

2016-08-19

Histidine phosphorylation relieves copper inhibition in the mammalian potassium channel KCa3.1.

Shekhar Srivastava, Stevan R Hubbard, Tony Hunter
2016-05-31

Mechanisms and energetics for N-glycosidic bond cleavage of protonated adenine nucleosides: N3 protonation induces base rotation and enhances N-glycosidic bond stability

R R Wu
2016-05-11

A time course of orchestrated endophilin action in sensing, bending, and stabilizing curved membranes

Klaus Schulten
2016-05-04

Synthesis and Investigation of 2,6-Bis(picrylamino)-3,5-dinitro-pyridine (PYX) and Its Salts
2016-04-22

Multifaceted Histone H3 Methylation and Phosphorylation Readout by the Plant Homeodomain Finger of Human Nuclear Antigen Sp100C.

Haitao Li
2016-04-21

Molecular Dynamics Simulations and Classical Multidimensional Scaling Unveil New Metastable States in the Conformational Landscape of CDK2.

Giulio Rastelli
2016-04-06

Impact of Ser17 Phosphorylation on the Conformational Dynamics of the Oncoprotein MDM2.
2016-03-02

A novel molecular dynamics approach to evaluate the effect of phosphorylation on multimeric protein interface: the αB-Crystallin case study

Federica Chiappori, Luciano Milanesi, Ivan Merelli
2016-03-04

Dynamics of PKA phosphorylation and gain of function in cardiac pacemaker cells: a computational model analysis

Yael Yaniv
2016

Protein Phosphorylation and Redox Modification in Stomatal Guard Cells
2015-04-02

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

Samuel Genheden, U Ryde
2015-03-18

Molecular dynamics simulations of acylpeptide hydrolase bound to chlorpyrifosmethyl oxon and dichlorvos
2015-02-01

Dynamical role of phosphorylation on serine/threonine-proline Pin1 substrates from constant force molecular dynamics simulations.
2015-02-06

Phosphorylation as conformational switch from the native to amyloid state: Trp-cage as a protein aggregation model

József Kardos
2014-10-17

Electronic detection of dsDNA transition from helical to zipper conformation using graphene nanopores

Klaus Schulten
2014-06-01

Light harvesting by lamellar chromatophores in Rhodospirillum photometricum

Klaus Schulten, Simon Scheuring
2014-05-20

Experimental and theoretical investigations of electronic structure and photoluminescence properties of β-Ag2MoO4 microcrystals

Mateus Meneghetti Ferrer, Elson Longo, Laécio S Cavalcante
2014-04-22

Molecular dynamics study of the phosphorylation effect on the conformational states of the C-terminal domain of RNA polymerase II.
2012-07-18

Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles

Robert B. Best
2012

CAVER 3.0: a tool for the analysis of transport pathways in dynamic protein structures

Martin Klvana, Jan Brezovsky, Jiri Damborsky, Barbora Kozlíková
2012-10-19

Decrypting cryptochrome: revealing the molecular identity of the photoactivation reaction

Klaus Schulten
2012-09-12

How phosphorylation activates the protein phosphatase-1 • inhibitor-2 complex

J F Cannon
2012-08-15

Post-translational modification: nature's escape from genetic imprisonment and the basis for dynamic information encoding

Guy Lippens
2012-01-01

Correlation between posttranslational modification and intrinsic disorder in protein
2011-12-08

Multiwfn: a multifunctional wavefunction analyzer.

Tian Lu
2010-03-01

Theoretical Study of Vibrationally Averaged Dipole Moments for the Ground and Excited C═O Stretching States of trans-Formic Acid

Jakub Kaminsky
2008-12

Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity

Mark Bartlam, Yunhai Luo, Hui Wang, Zihe Rao
2007-12-20

Molecular dynamics simulations of hemoglobin A in different states and bound to DPG: effector-linked perturbation of tertiary conformations and HbA concerted dynamics
2007-11-13

Effect of phosphorylation on alpha B-crystallin: differences in stability, subunit exchange and chaperone activity of homo and mixed oligomers of alpha B-crystallin and its phosphorylation-mimicking mutant
2007-04-01

A semiempirical free energy force field with charge-based desolvation

Garrett M Morris, David Goodsell
2006-11-01

Physicochemical modelling of cell signalling pathways

Bree B Aldridge, Peter K. Sorger, Douglas A Lauffenburger
2006-10-10

The structure of human ADP-ribosylhydrolase 3 (ARH3) provides insights into the reversibility of protein ADP-ribosylation

Christoph Mueller-Dieckmann, Friedrich Koch-Nolte

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