Veröffentlichungen "Ullmann, G. Matthias"

2023

Roy, Rajeev Ranjan ; Ullmann, G. Matthias:
Virtual Model Compound Approach for Calculating Redox Potentials of [Fe₂S₂]-Cys₄ Centers in Proteins – Structure Quality Matters.
In: Journal of Chemical Theory and Computation. Bd. 19 (2023) Heft 23 . - S. 8930-8941.
ISSN 1549-9626
DOI: https://doi.org/10.1021/acs.jctc.3c00779

2022

Schweiger, Andreas ; Ullmann, G. Matthias ; Nürk, Nicolai ; Triebel, Dagmar ; Schobert, Rainer ; Rambold, Gerhard:
Chemical properties of key metabolites determine the global distribution of lichens.
In: Ecology Letters. Bd. 25 (2022) Heft 2 . - S. 416-426.
ISSN 1461-0248
DOI: https://doi.org/10.1111/ele.13930

Di Savino, Antonella ; Förster, Johannes ; Ullmann, G. Matthias ; Ubbink, Marcellus:
Enhancing the population of the encounter complex affects protein complex formation efficiency.
In: The FEBS Journal. Bd. 289 (2022) Heft 2 . - S. 535-548.
ISSN 1742-4658
DOI: https://doi.org/10.1111/febs.16159

Weigert, Sebastian ; Perez‐Garcia, Pablo ; Gisdon, Florian J. ; Gagsteiger, Andreas ; Schweinshaut, Kristine ; Ullmann, G. Matthias ; Chow, Jennifer ; Streit, Wolfgang R. ; Höcker, Birte:
Investigation of the halophilic PET hydrolase PET6 from Vibrio gazogenes.
In: Protein Science. Bd. 31 (2022) Heft 12 . - e4500.
ISSN 1469-896X
DOI: https://doi.org/10.1002/pro.4500

Gisdon, Florian J. ; Bombarda, Elisa ; Ullmann, G. Matthias:
Serine and Cysteine Peptidases: So Similar, Yet Different : How the Active-Site Electrostatics Facilitates Different Reaction Mechanisms.
In: The Journal of Physical Chemistry B. Bd. 126 (2022) Heft 22 . - S. 4035-4048.
ISSN 1520-5207
DOI: https://doi.org/10.1021/acs.jpcb.2c01484

Gisdon, Florian J. ; Feiler, Christian G. ; Kempf, Oxana ; Förster, Johannes ; Haiss, Jonathan ; Blankenfeldt, Wulf ; Ullmann, G. Matthias ; Bombarda, Elisa:
Structural and Biophysical Analysis of the Phytochelatin-Synthase-Like Enzyme from Nostoc sp. Shows That Its Protease Activity is Sensitive to the Redox State of the Substrate.
In: ACS Chemical Biology. Bd. 17 (2022) Heft 4 . - S. 883-897.
ISSN 1554-8937
DOI: https://doi.org/10.1021/acschembio.1c00941

2021

Di Savino, Antonella ; Förster, Johannes ; Ullmann, G. Matthias ; Ubbink, Marcellus:
The Charge Distribution on a Protein Surface Determines Whether Productive or Futile Encounter Complexes Are Formed.
In: Biochemistry. Bd. 60 (2021) Heft 10 . - S. 747-755.
ISSN 1520-4995
DOI: https://doi.org/10.1021/acs.biochem.1c00021

Kempf, Oxana ; Ullmann, G. Matthias ; Schobert, Rainer ; Kempf, Karl ; Bombarda, Elisa:
Chemoselective Attachment of the Water-Soluble Dark Quencher Hydrodabcyl to Amino Groups in Peptides and Preservation of Its Spectroscopic Properties over a Wide pH Range.
In: ACS Omega. Bd. 6 (2021) Heft 48 . - S. 32896-32903.
ISSN 2470-1343
DOI: https://doi.org/10.1021/acsomega.1c04891

2020

di Savino, Antonella ; Förster, Johannes ; la Haye, Thijmen ; Blok, Anneloes ; Timmer, Monika ; Ullmann, G. Matthias ; Ubbink, Marcellus:
Efficient Encounter Complex Formation and Electron Transfer to Cytochrome c Peroxidase with an Additional, Distant Electrostatic Binding Site.
In: Angewandte Chemie. Bd. 132 (2020) Heft 51 . - S. 23439-23443.
ISSN 1521-3757
DOI: https://doi.org/10.1002/ange.202010006

2019

Schelter, Ingo ; Förster, Johannes ; Gardiner, Alastair T. ; Roszak, Aleksander W. ; Cogdell, Richard J. ; Ullmann, G. Matthias ; de Queiroz, Thiago Branquinho ; Kümmel, Stephan:
Assessing density functional theory in real-time and real-space as a tool for studying bacteriochlorophylls and the light-harvesting complex 2.
In: The Journal of Chemical Physics. Bd. 151 (2019) Heft 13 . - 134114.
ISSN 0021-9606
DOI: https://doi.org/10.1063/1.5116779

2017

Culka, Martin ; Gisdon, Florian J. ; Ullmann, G. Matthias:
Computational Biochemistry : Enzyme Mechanisms Explored.
In: Karabencheva-Christova, Tatyana (Hrsg.): Structural and Mechanistic Enzymology. - Cambridge : Elsevier Academic Press , 2017 . - S. 77-112 . - (Advances in Protein Chemistry and Structural Biology ; 109 )
ISBN 978-0-12-811876-4
DOI: https://doi.org/10.1016/bs.apcsb.2017.04.004

2016

Rabus, Ralf ; Boll, Matthias ; Heider, Johann ; Meckenstock, Rainer U. ; Buckel, Wolfgang ; Einsle, O. ; Ermler, U. ; Golding, B. T. ; Gunsalus, R. P. ; Kroneck, P. M. H. ; Krüger, Martin ; Lüders, Tillmann ; Martins, B. M. ; Musat, Florin ; Richnow, Hans-Hermann ; Schink, Bernhard ; Seifert, Jana ; Szaleniec, M. ; Treude, Tina ; Ullmann, G. Matthias ; Vogt, Carsten ; von Bergen, Martin ; Wilkes, Heinz:
Anaerobic microbial degradation of hydrocarbons : from enzymatic reactions to the environment.
In: Journal of Molecular Microbiology and Biotechnology. Bd. 26 (2016) Heft 1-3 . - S. 5-28.
ISSN 1660-2412
DOI: https://doi.org/10.1159/000443997

Gisdon, Florian J. ; Culka, Martin ; Ullmann, G. Matthias:
PyCPR – a python-based implementation of the Conjugate Peak Refinement (CPR) algorithm for finding transition state structures.
In: Journal of Molecular Modeling. Bd. 22 (2016) . - 242.
ISSN 0948-5023
DOI: https://doi.org/10.1007/s00894-016-3116-8

2015

Beyer, Sebastian R. ; Müller, Lars ; Southall, June ; Cogdell, Richard J. ; Ullmann, G. Matthias ; Köhler, Jürgen:
The open, the closed, and the empty: time-resolved fluorescence spectroscopy and computational analysis of RC-LH1 complexes from Rhodopseudomonas palustris.
In: The Journal of Physical Chemistry B. Bd. 119 (2015) Heft 4 . - S. 1362-1373.
ISSN 1520-5207
DOI: https://doi.org/10.1021/jp510822k

2011

Bombarda, Elisa ; Ullmann, G. Matthias:
Continuum electrostatic investigations of charge transfer processes in biological molecules using a microstate description.
In: Faraday Discussions. Bd. 148 (2011) . - S. 173-193.
ISSN 1364-5498
DOI: https://doi.org/10.1039/c003905e

Pflock, Tobias ; Oellerich, Silke ; Southall, June ; Cogdell, Richard J. ; Ullmann, G. Matthias ; Köhler, Jürgen:
The Electronically Excited States of LH2 Complexes from Rhodopseudomonas acidophila Strain 10050 Studied by Time-Resolved Spectroscopy and Dynamic Monte Carlo Simulations. I. Isolated, Non-Interacting LH2 Complexes.
In: The Journal of Physical Chemistry B. Bd. 115 (2011) Heft 28 . - S. 8813-8820.
ISSN 1520-5207
DOI: https://doi.org/10.1021/jp202353c

Pflock, Tobias ; Oellerich, Silke ; Krapf, Lisa ; Southall, June ; Cogdell, Richard J. ; Ullmann, G. Matthias ; Köhler, Jürgen:
The Electronically Excited States of LH2 Complexes from Rhodopseudomonas acidophila Strain 10050 Studied by Time-Resolved Spectroscopy and Dynamic Monte Carlo Simulations. II. Homo-Arrays Of LH2 Complexes Reconstituted Into Phospholipid Model Membranes.
In: The Journal of Physical Chemistry B. Bd. 115 (2011) Heft 28 . - S. 8821-8831.
ISSN 1520-5207
DOI: https://doi.org/10.1021/jp2023583

2010

Spiegelhauer, Olivia ; Mende, Sophia ; Dickert, Frank ; Knauer, Stefan H. ; Ullmann, G. Matthias ; Dobbek, Holger:
Cysteine as a modulator residue in the active site of xenobiotic reductase A : a structural, thermodynamic and kinetic study.
In: Journal of Molecular Biology. Bd. 398 (2010) Heft 1 . - S. 66-82.
ISSN 0022-2836
DOI: https://doi.org/10.1016/j.jmb.2010.02.044