Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 9

1.

Extracellular interface between APP and Nicastrin regulates Aβ length and response to γ-secretase modulators.

Petit D, Hitzenberger M, Lismont S, Zoltowska KM, Ryan NS, Mercken M, Bischoff F, Zacharias M, Chávez-Gutiérrez L.

EMBO J. 2019 May 20. pii: e101494. doi: 10.15252/embj.2019101494. [Epub ahead of print]

2.

γ-Secretase Studied by Atomistic Molecular Dynamics Simulations: Global Dynamics, Enzyme Activation, Water Distribution and Lipid Binding.

Hitzenberger M, Zacharias M.

Front Chem. 2019 Jan 4;6:640. doi: 10.3389/fchem.2018.00640. eCollection 2018.

3.

Structural Modeling of γ-Secretase Aβ n Complex Formation and Substrate Processing.

Hitzenberger M, Zacharias M.

ACS Chem Neurosci. 2019 Mar 20;10(3):1826-1840. doi: 10.1021/acschemneuro.8b00725. Epub 2019 Jan 30.

PMID:
30638370
4.

The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study.

Hitzenberger M, Schuster D, Hofer TS.

Front Chem. 2017 Oct 23;5:76. doi: 10.3389/fchem.2017.00076. eCollection 2017.

5.

The influence of metal-ion binding on the structure and surface composition of Sonic Hedgehog: a combined classical and hybrid QM/MM MD study.

Hitzenberger M, Hofer TS.

Phys Chem Chem Phys. 2016 Aug 10;18(32):22254-65. doi: 10.1039/c6cp03960j.

PMID:
27452578
6.

Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds.

Hitzenberger M, Hofer TS.

J Comput Chem. 2015 Oct 5;36(26):1929-39. doi: 10.1002/jcc.24032. Epub 2015 Aug 3.

PMID:
26235898
7.

Tuning the reactivity of a dissociative force field: proton transfer properties of aqueous H3O(+) and their dependence on the three-body interaction.

Wiedemair MJ, Hitzenberger M, Hofer TS.

Phys Chem Chem Phys. 2015 Apr 28;17(16):10934-43. doi: 10.1039/c4cp05607h.

PMID:
25820273
8.

Solvation properties and behaviour of lutetium(III) in aqueous solution--a quantum mechanical charge field (QMCF) study.

Hitzenberger M, Hofer TS, Weiss AK.

J Chem Phys. 2013 Sep 21;139(11):114306. doi: 10.1063/1.4820879.

PMID:
24070289
9.

Combining a Dissociative Water Model with a Hybrid QM/MM Approach-A Simulation Strategy for the Study of Proton Transfer Reactions in Solution.

Hofer TS, Hitzenberger M, Randolf BR.

J Chem Theory Comput. 2012 Oct 9;8(10):3586-95. doi: 10.1021/ct300062k. Epub 2012 Mar 30.

PMID:
26593004

Supplemental Content

Loading ...
Support Center