Publications

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78 Publications visible to you, out of a total of 78

Transition Path Sampling with Quantum/Classical Mechanics for Reaction Rates

Molecular Biomechanics

Abstract

Not specified

Authors: Frauke Gräter, Wenjin Li

Date Published: 2015

Publication Type: InCollection

PubMed ID: 25330957

DOI: 10.1007/978-1-4939-1465-4_2

Citation: In Molecular Modeling of Proteins, pp. 27–45, Springer New York

Created: 7th Sep 2019 at 07:15, Last updated: 5th Mar 2024 at 21:23

A proton relay enhances H2O2 sensitivity of GAPDH to facilitate metabolic adaptation

Molecular Biomechanics

Abstract

Not specified

Authors: David Peralta, Agnieszka K Bronowska, Bruce Morgan, Éva Dóka, Koen Van Laer, Péter Nagy, Frauke Gräter, Tobias P Dick

Date Published: 2015

Publication Type: Journal

PubMed ID: 25580853

DOI: 10.1038/nchembio.1720

Citation: Nature Chemical Biology, 11(2):156–163

Created: 7th Sep 2019 at 07:15, Last updated: 5th Mar 2024 at 21:23

Allosteric Regulation of Focal Adhesion Kinase by PIP 2 and ATP

Molecular Biomechanics

Abstract

Not specified

Authors: Jing Zhou, Agnieszka Bronowska, Johanne Le Coq, Daniel Lietha, Frauke Gräter

Date Published: 2015

Publication Type: Journal

PubMed ID: 25650936

DOI: 10.1016/j.bpj.2014.11.3454

Citation: Biophysical Journal, 108(3):698–705

Created: 7th Sep 2019 at 07:15, Last updated: 5th Mar 2024 at 21:23

Redox Potentials of Protein Disulfide Bonds from Free-Energy Calculations

Molecular Biomechanics

Abstract

Not specified

Authors: Wenjin Li, Ilona B. Baldus, Frauke Gräter

Date Published: 2015

Publication Type: Journal

PubMed ID: 25856548

DOI: 10.1021/acs.jpcb.5b01051

Citation: The Journal of Physical Chemistry B, 119(17):5386–5391

Created: 7th Sep 2019 at 07:15, Last updated: 5th Mar 2024 at 21:23

Kirkwood–Buff approach rescues overcollapse of a disordered protein in canonical protein force fields

Molecular Biomechanics

Abstract

Not specified

Authors: Davide Mercadante, Sigrid Milles, Gustavo Fuertes, Dmitri I. Svergun, Edward A. Lemke, Frauke Gräter

Date Published: 2015

Publication Type: Journal

PubMed ID: 26030189

DOI: 10.1021/acs.jpcb.5b03440

Citation: The Journal of Physical Chemistry B, 119(25):7975–7984

Created: 7th Sep 2019 at 07:15, Last updated: 5th Mar 2024 at 21:23

Origin of Orthogonality of Strain-Promoted Click Reactions

Molecular Biomechanics

Abstract

Not specified

Authors: Johannes A. Wagner, Davide Mercadante, Ivana Nikić, Edward A. Lemke, Frauke Gräter

Date Published: 2015

Publication Type: Journal

PubMed ID: 26178299

DOI: 10.1002/chem.201501727

Citation: Chemistry–A European Journal, 21(35):12431–12435

Created: 7th Sep 2019 at 07:15, Last updated: 5th Mar 2024 at 21:23

Dynamic Allostery of the Catabolite Activator Protein Revealed by Interatomic Forces

Molecular Biomechanics

Abstract

Not specified

Authors: Maxime Louet, Christian Seifert, Ulf Hensen, Frauke Gräter

Date Published: 2015

Publication Type: Journal

PubMed ID: 26244893

DOI: 10.1371/journal.pcbi.1004358

Citation: PLoS Comput Biol, 11(8):e1004358

Created: 7th Sep 2019 at 07:15, Last updated: 5th Mar 2024 at 21:23

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