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List of works by Klaus Gerwert

A delocalized proton-binding site within a membrane protein

scientific article

A method for the comparison of multi-platform spectral histopathology (SHP) data sets

scientific article

A modified infrared spectrometer with high time resolution and its application for investigating fast conformational changes of the GTPase Ras.

scientific article

A phosphoryl transfer intermediate in the GTPase reaction of Ras in complex with its GTPase-activating protein

scholarly article

Amyloid blood biomarker detects Alzheimer's disease.

scientific article

Amyloid-β-Secondary Structure Distribution in Cerebrospinal Fluid and Blood Measured by an Immuno-Infrared-Sensor: A Biomarker Candidate for Alzheimer's Disease.

scientific article

An infrared sensor analysing label-free the secondary structure of the Abeta peptide in presence of complex fluids.

scientific article

Biofluids and other techniques: general discussion.

scientific article

Catalysis of GTP hydrolysis by small GTPases at atomic detail by integration of X-ray crystallography, experimental, and theoretical IR spectroscopy

scientific article published on 13 August 2015

Catalytic mechanism of a mammalian Rab⋅RabGAP complex in atomic detail

scientific article

Channelrhodopsin reveals its dark secrets

scientific article published in November 2017

Clinical Spectroscopy: general discussion.

scientific article

Colocalization of fluorescence and Raman microscopic images for the identification of subcellular compartments: a validation study

scientific article

Coupling of light-induced electron transfer to proton uptake in photosynthesis

scientific article

De novo design of conformationally flexible transmembrane peptides driving membrane fusion

scholarly article

Design of an Ultrafast G Protein Switch Based on a Mouse Melanopsin Variant

scientific article published on 18 June 2019

Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode

scientific article

Does different orientation of the methoxy groups of ubiquinone-10 in the reaction centre of Rhodobacter sphaeroides cause different binding at QA and QB?

scientific article published in September 2003

Dynamical Binding Modes Determine Agonistic and Antagonistic Ligand Effects in the Prostate-Specific G-Protein Coupled Receptor (PSGR).

scientific article published on 22 November 2017

Dynamics of water molecules in the bacteriorhodopsin trimer in explicit lipid/water environment

scientific article published on February 2004

Early formation of the ion-conducting pore in channelrhodopsin-2.

scientific article published on 23 December 2014

Elucidation of Single Hydrogen Bonds in GTPases via Experimental and Theoretical Infrared Spectroscopy

scientific article published on January 2017

Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM Dynamics

scientific article published on 29 May 2012

FTIR spectroscopy of biofluids revisited: an automated approach to spectral biomarker identification

scientific article published on 28 May 2013

Fourier transform infrared spectroscopy on the Rap.RapGAP reaction, GTPase activation without an arginine finger

scientific article

Functional waters in intraprotein proton transfer monitored by FTIR difference spectroscopy

scientific article published in Nature

Hierarchical deep convolutional neural networks combine spectral and spatial information for highly accurate Raman-microscopy-based cytopathology

scholarly article by Sascha D Krauß et al published 21 May 2018 in Journal of Biophotonics

Histidine is involved in coupling proton uptake to electron transfer in photosynthetic proteins ⬇️

scientific article published on October 8, 2010

How Does a Membrane Protein Achieve a Vectorial Proton Transfer Via Water Molecules?

IR Spectra of Phosphate Ions in Aqueous Solution: Predictions of a DFT/MM Approach Compared with Observations

article published in 2004

Immunohistochemistry, histopathology and infrared spectral histopathology of colon cancer tissue sections

scientific article published on 7 December 2012

In channelrhodopsin-2 Glu-90 is crucial for ion selectivity and is deprotonated during the photocycle

scientific article

In vitro prediction of the efficacy of molecularly targeted cancer therapy by Raman spectral imaging

scientific article published on 14 July 2015

Infrared spectral marker bands characterizing a transient water wire inside a hydrophobic membrane protein

Insight into catalysis of a unique GTPase reaction by a combined biochemical and FTIR approach

It's in your blood: spectral biomarker candidates for urinary bladder cancer from automated FTIR spectroscopy

scientific article published on 7 January 2014

Label-Free Raman Spectroscopic Imaging Monitors the Integral Physiologically Relevant Drug Responses in Cancer Cells

scientific article published on 26 June 2015

Label-free identification of myopathological features with coherent anti-Stokes Raman scattering

Label-free imaging of drug distribution and metabolism in colon cancer cells by Raman microscopy

scientific article published on 15 January 2014

Label-free screening of drug-protein interactions by time-resolved Fourier transform infrared spectroscopic assays exemplified by Ras interactions

scientific article published on September 2010

Ligand-Induced Conformational Changes in HSP90 Monitored Time Resolved and Label Free-Towards a Conformational Activity Screening for Drug Discovery

scientific article published on 03 July 2018

Light-induced reactions of Escherichia coli DNA photolyase monitored by Fourier transform infrared spectroscopy

scientific article

Marker-free automated histopathological annotation of lung tumour subtypes by FTIR imaging

scientific article published on April 2015

Monitoring protein-ligand interactions by time-resolved FTIR difference spectroscopy

scientific article published in January 2005

Monitoring transient events in infrared spectra using local mode analysis

scientific article published on 29 October 2018

N-Ras forms dimers at POPC membranes

scientific article published on 2 October 2012

Prediction of a Ligand-Binding Niche within a Human Olfactory Receptor by Combining Site-Directed Mutagenesis with Dynamic Homology Modeling

article

Prion protein alpha-to-beta transition monitored by time-resolved Fourier transform infrared spectroscopy

scientific article published in October 2007

Proteins in action monitored by time-resolved FTIR spectroscopy

scientific article

Proton binding within a membrane protein by a protonated water cluster

scientific article

Proton transfer via a transient linear water-molecule chain in a membrane protein

scientific article

Quantum Cascade Laser-Based Infrared Microscopy for Label-Free and Automated Cancer Classification in Tissue Sections.

scientific article published on 16 May 2018

Raman Micro-Spectroscopic Evidence for the Metabolism of a Tyrosine Kinase Inhibitor, Neratinib, in Cancer Cells.

scientific article published on 12 April 2018

Raman-mikrospektroskopischer Nachweis für den Metabolismus eines Tyrosinkinase-Inhibitors, Neratinib, in Krebszellen

Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulations

scientific article

Reaction mechanism of adenylyltransferase DrrA from Legionella pneumophila elucidated by time-resolved fourier transform infrared spectroscopy

scientific article published on 20 June 2014

Role of the arginine finger in Ras.RasGAP revealed by QM/MM calculations

scientific article published on 20 November 2007

Secondary structure of lipidated Ras bound to a lipid bilayer

scientific article published in December 2008

Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding site

scientific article published on 5 September 2008

Single cell analysis/data handling: general discussion

scientific article

Spectral Pathology: general discussion.

scientific article published in June 2016

Spectral histopathology of colon cancer tissue sections by Raman imaging with 532 nm excitation provides label free annotation of lymphocytes, erythrocytes and proliferating nuclei of cancer cells

scientific article published on 4 June 2013

Spectroscopic investigation of the reaction mechanism of CopB-B, the catalytic fragment from an archaeal thermophilic ATP-driven heavy metal transporter

scientific article published on 22 September 2009

Structural basis of slow activation gating in the cardiac I Ks channel complex

scientific article (publication date: 2011)

Structural changes of membrane-anchored native PrP(C)

scholarly article

Surface-Attached Polyhistidine-Tag Proteins Characterized by FTIR Difference Spectroscopy

scientific article (publication date: 15 June 2012)

Systematic approach to group-specific isotopic labeling of proteins for vibrational spectroscopy

article

The GAP arginine finger movement into the catalytic site of Ras increases the activation entropy

scholarly article

The Ras dimer structure

scientific article published on 04 May 2021

The assignment of the different infrared continuum absorbance changes observed in the 3000-1800-cm(-1) region during the bacteriorhodopsin photocycle

scientific article published on 6 August 2004

The dynamics of the catalytic site in small GTPases, variations on a common motif

scientific article published on 16 May 2013

The role of magnesium for geometry and charge in GTP hydrolysis, revealed by quantum mechanics/molecular mechanics simulations

scientific article published on 17 July 2012

The role of protein-bound water molecules in microbial rhodopsins

scientific article

The structure of active opsin as a basis for identification of GPCR agonists by dynamic homology modelling and virtual screening assays ⬇️

scientific article published on October 21, 2011

Theoretical IR spectroscopy based on QM/MM calculations provides changes in charge distribution, bond lengths, and bond angles of the GTP ligand induced by the Ras-protein

scientific article published on April 2005

Time-resolved FTIR spectroscopy for monitoring protein dynamics exemplified by functional studies of Ras protein bound to a lipid bilayer

article

Time-resolved FTIR studies provide activation free energy, activation enthalpy and activation entropy for GTPase reactions

Time-resolved Fourier transform infrared spectroscopy of the nucleotide-binding domain from the ATP-binding Cassette transporter MsbA: ATP hydrolysis is the rate-limiting step in the catalytic cycle

scientific article published on 16 May 2012

Tyr39 of ran preserves the Ran.GTP gradient by inhibiting GTP hydrolysis

scientific article published on 2 June 2010

Unifying photocycle model for light adaptation and temporal evolution of cation conductance in channelrhodopsin-2

scientific article published on 19 April 2019

Unraveling the Phosphocholination Mechanism of the Legionella pneumophila Enzyme AnkX.

scientific article published on 12 July 2016

Unravelling the mechanism of dual-specificity GAPs

scientific article

Water dynamics simulation as a tool for probing proton transfer pathways in a heptahelical membrane protein

scientific article published in February 2005

What vibrations tell us about GTPases

scientific article

Zeitaufgelöst und markerfrei gemessene ligandeninduzierte Konformationsänderungen von HSP90 - hin zu einem Konformationsaktivitätsscreening für die Wirkstoffentwicklung

pKa calculations suggest storage of an excess proton in a hydrogen-bonded water network in bacteriorhodopsin

scientific article (publication date: September 2001)

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