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Journal of Chemical Theory and Computation
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December 29, 2025
Protein-Based Determination of Model Redox Potentials for the High-Potential and Low-Potential Redox Transition of [4Fe-4S]-Cys<sub>4</sub> Clusters Using Continuum Electrostatics
Rajeev Ranjan Roy, Maxim Janzen, G Matthias Ullmann
The Journal of Physical Chemistry. B
|
March 27, 2026
Fundamental Electrostatics Explains Why Ferredoxin- and HiPIP-Type Proteins Favor Different Redox Transitions in [4Fe-4S]-Cys<sub>4</sub> Clusters
Rajeev Ranjan Roy, Maxim Janzen, G Matthias Ullmann
The Journal of Physical Chemistry. B
|
May 24, 2022
Serine and Cysteine Peptidases: So Similar, Yet Different. How the Active-Site Electrostatics Facilitates Different Reaction Mechanisms
Florian J Gisdon, Elisa Bombarda, G Matthias Ullmann
Proteins
|
May 4, 2011
Distinguishing two groups of flavin reductases by analyzing the protonation state of an active site carboxylic acid
Verónica I Dumit, Néstor Cortez, G Matthias Ullmann
Biochimica Et Biophysica Acta
|
July 22, 2008
Partitioning of amino-acid analogues in a five-slab membrane model
Durba Sengupta, Jeremy C Smith, G Matthias Ullmann
Journal of Computational Chemistry
|
July 20, 2005
A molecular mechanics force field for biologically important sterols
Zoe Cournia, Jeremy C Smith, G Matthias Ullmann
The Journal of Physical Chemistry. B
|
January 31, 2007
Differential effects of cholesterol, ergosterol and lanosterol on a dipalmitoyl phosphatidylcholine membrane: a molecular dynamics simulation study
Zoe Cournia, G Matthias Ullmann, Jeremy C Smith
Biochemistry
|
January 23, 2009
Profile hidden Markov models for analyzing similarities and dissimilarities in the bacterial reaction center and photosystem II
Eva-Maria Krammer, Pierre Sebban, G Matthias Ullmann
The Journal of Physical Chemistry. B
|
March 29, 2007
Simulation of the electron transfer between the tetraheme subunit and the special pair of the photosynthetic reaction center using a microstate description
Torsten Becker, R Thomas Ullmann, G Matthias Ullmann
Journal of the American Chemical Society
|
September 14, 2013
Catalytic mechanism of the glycyl radical enzyme 4-hydroxyphenylacetate decarboxylase from continuum electrostatic and QC/MM calculations
Mikolaj Feliks, Berta M Martins, G Matthias Ullmann
Page
of 9
Search research articles
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Showing results (21-30 of 81) with videos related to
Sort By:
Page
of 9
Journal of Chemical Theory and Computation
|
December 29, 2025
Protein-Based Determination of Model Redox Potentials for the High-Potential and Low-Potential Redox Transition of [4Fe-4S]-Cys<sub>4</sub> Clusters Using Continuum Electrostatics
Rajeev Ranjan Roy, Maxim Janzen, G Matthias Ullmann
The Journal of Physical Chemistry. B
|
March 27, 2026
Fundamental Electrostatics Explains Why Ferredoxin- and HiPIP-Type Proteins Favor Different Redox Transitions in [4Fe-4S]-Cys<sub>4</sub> Clusters
Rajeev Ranjan Roy, Maxim Janzen, G Matthias Ullmann
The Journal of Physical Chemistry. B
|
May 24, 2022
Serine and Cysteine Peptidases: So Similar, Yet Different. How the Active-Site Electrostatics Facilitates Different Reaction Mechanisms
Florian J Gisdon, Elisa Bombarda, G Matthias Ullmann
Proteins
|
May 4, 2011
Distinguishing two groups of flavin reductases by analyzing the protonation state of an active site carboxylic acid
Verónica I Dumit, Néstor Cortez, G Matthias Ullmann
Biochimica Et Biophysica Acta
|
July 22, 2008
Partitioning of amino-acid analogues in a five-slab membrane model
Durba Sengupta, Jeremy C Smith, G Matthias Ullmann
Journal of Computational Chemistry
|
July 20, 2005
A molecular mechanics force field for biologically important sterols
Zoe Cournia, Jeremy C Smith, G Matthias Ullmann
The Journal of Physical Chemistry. B
|
January 31, 2007
Differential effects of cholesterol, ergosterol and lanosterol on a dipalmitoyl phosphatidylcholine membrane: a molecular dynamics simulation study
Zoe Cournia, G Matthias Ullmann, Jeremy C Smith
Biochemistry
|
January 23, 2009
Profile hidden Markov models for analyzing similarities and dissimilarities in the bacterial reaction center and photosystem II
Eva-Maria Krammer, Pierre Sebban, G Matthias Ullmann
The Journal of Physical Chemistry. B
|
March 29, 2007
Simulation of the electron transfer between the tetraheme subunit and the special pair of the photosynthetic reaction center using a microstate description
Torsten Becker, R Thomas Ullmann, G Matthias Ullmann
Journal of the American Chemical Society
|
September 14, 2013
Catalytic mechanism of the glycyl radical enzyme 4-hydroxyphenylacetate decarboxylase from continuum electrostatic and QC/MM calculations
Mikolaj Feliks, Berta M Martins, G Matthias Ullmann
Page
of 9