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Dr.
MD simulations of biomolecular systems / administration of HPC
Pathogenic UNC13A variants cause a neurodevelopmental syndrome by impairing synaptic function
Nature Genetics 2025
read onlinePore-Opening and Ion-Conduction Mechanism in Channelrhodopsins C1C2, ChR2, and iChloC by Computational Electrophysiology and Constant-pH Simulations
Journal of Chemical Information and Modeling 2025
read onlineStructural Transition from Closed to Open for the Influenza A M2 Proton Channel as Observed by Proton-Detected Solid-State NMR
Journal of the American Chemical Society 2025
read onlineDiversity of rhodopsin cyclases in zoospore-forming fungi
Proceedings of the National Academy of Sciences 2023
read onlineThe opening dynamics of the lateral gate regulates the activity of rhomboid proteases
Science Advances 2023
read onlineQuasAr Odyssey: the origin of fluorescence and its voltage sensitivity in microbial rhodopsins
Nature Communications 2022
read onlineAuthor Correction: QuasAr Odyssey: the origin of fluorescence and its voltage sensitivity in microbial rhodopsins
Nature Communications 2022
read onlinePotential Distribution across Model Membranes
The Journal of Physical Chemistry B 2022
read onlineA combination of solid-state NMR and MD simulations reveals the binding mode of a rhomboid protease inhibitor
Chemical Science 2021
read onlineDissecting the activation of insulin degrading enzyme by inositol pyrophosphates and their bisphosphonate analogs
Chemical Science 2021
read onlineA Computational Modeling Approach Predicts Interaction of the Antifungal Protein AFP from Aspergillus giganteus with Fungal Membranes via Its γ-Core Motif.
mSphere 2018
read onlineLong-Range Modulations of Electric Fields in Proteins.
The journal of physical chemistry. B 2018
read onlineSolvation of diclofenac in water from atomistic molecular dynamics simulations - interplay between solute-solute and solute-solvent interactions.
Physical chemistry chemical physics : PCCP 2018
read onlineTracking the route of molecular oxygen in O<sub>2</sub>-tolerant membrane-bound [NiFe] hydrogenase.
Proceedings of the National Academy of Sciences of the United States of America 2018
read onlineStructure, dynamics and kinetics of two-component Lantibiotic Lichenicidin.
PloS one 2017
read onlineSwitchable Redox Chemistry of the Hexameric Tyrosine-Coordinated Heme Protein
The Journal of Physical Chemistry B 2017
read onlineDetermination of the Local Electric Field at Au/SAM Interfaces Using the Vibrational Stark Effect
The Journal of Physical Chemistry C 2017
read onlineDomain motions and electron transfer dynamics in 2Fe-superoxide reductase.
Physical chemistry chemical physics : PCCP 2016
read onlineThe role of local and remote amino acid substitutions for optimizing fluorescence in bacteriophytochromes: A case study on iRFP.
Scientific reports 2016
read onlineThe Molybdenum Active Site of Formate Dehydrogenase Is Capable of Catalyzing C-H Bond Cleavage and Oxygen Atom Transfer Reactions.
Biochemistry 2016
read onlineReconstitution of Fusion Proteins in Supported Lipid Bilayers for the Study of Cell Surface Receptor-Ligand Interactions in Cell-Cell Contact.
Langmuir : the ACS journal of surfaces and colloids 2016
read onlineOrientation-Controlled Electrocatalytic Efficiency of an Adsorbed Oxygen-Tolerant Hydrogenase.
PloS one 2015
read onlineSurface-tuned electron transfer and electrocatalysis of hexameric tyrosine-coordinated heme protein.
Chemistry (Weinheim an der Bergstrasse, Germany) 2015
read onlineStructural parameters controlling the fluorescence properties of phytochromes.
Biochemistry 2013
read onlineThe linker pivot in Ci-VSP: the key to unlock catalysis.
PloS one 2013
read onlinePhotoconversion mechanism of the second GAF domain of cyanobacteriochrome AnPixJ and the cofactor structure of its green-absorbing state.
Biochemistry 2013
read onlineEffect of the protonation degree of a self-assembled monolayer on the immobilization dynamics of a [NiFe] hydrogenase.
Langmuir : the ACS journal of surfaces and colloids 2013
read onlineCatalytic efficiency of dehaloperoxidase A is controlled by electrostatics--application of the vibrational Stark effect to understand enzyme kinetics.
Biochemical and biophysical research communications 2012
read onlinePerturbation of the redox site structure of cytochrome c variants upon tyrosine nitration.
The journal of physical chemistry. B 2012
read onlineCoupling of Ci-VSP modules requires a combination of structure and electrostatics within the linker.
Biophysical journal 2012
read onlineAdsorption of sulfite oxidase on self-assembled monolayers from molecular dynamics simulations.
Langmuir : the ACS journal of surfaces and colloids 2012
read onlineMapping local electric fields in proteins at biomimetic interfaces.
Chemical communications (Cambridge, England) 2011
read onlineMolecular dynamics simulations of the adsorption of bone morphogenetic protein-2 on surfaces with medical relevance.
Langmuir : the ACS journal of surfaces and colloids 2011
read onlineInsights into the structure of the active site of the O2-tolerant membrane bound [NiFe] hydrogenase of R. eutropha H16 by molecular modelling.
Physical chemistry chemical physics : PCCP 2011
read onlineRole of the HoxZ subunit in the electron transfer pathway of the membrane-bound [NiFe]-hydrogenase from Ralstonia eutropha immobilized on electrodes.
The journal of physical chemistry. B 2011
read onlineThree-Dimensional Structural Model of Chicken Liver Sulfite Oxidase in its Activated Form
The Journal of Physical Chemistry Letters 2010
read onlineRedox properties and catalytic activity of surface-bound human sulfite oxidase studied by a combined surface enhanced resonance Raman spectroscopic and electrochemical approach.
Physical chemistry chemical physics : PCCP 2010
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The Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) is part of the Forschungsverbund Berlin e.V. (FVB), which legally represents seven non-university research institutes - members of the Leibniz Association - in Berlin.
Leibniz-Forschungsinstitut für Molekulare Pharmakologie im Forschungsverbund Berlin e.V. (FMP)
Rudower Chaussee 17
12489 Berlin, Germany
