Published in Biophys J on February 01, 2004
Lessons of slicing membranes: interplay of packing, free area, and lateral diffusion in phospholipid/cholesterol bilayers. Biophys J (2004) 1.77
Molecular dynamics simulations of proteins in lipid bilayers. Curr Opin Struct Biol (2005) 1.62
Proton binding within a membrane protein by a protonated water cluster. Proc Natl Acad Sci U S A (2005) 1.36
Structures and spectral signatures of protonated water networks in bacteriorhodopsin. Proc Natl Acad Sci U S A (2007) 1.15
Proton transfer via a transient linear water-molecule chain in a membrane protein. Proc Natl Acad Sci U S A (2011) 1.15
In channelrhodopsin-2 Glu-90 is crucial for ion selectivity and is deprotonated during the photocycle. J Biol Chem (2012) 1.06
The assignment of the different infrared continuum absorbance changes observed in the 3000-1800-cm(-1) region during the bacteriorhodopsin photocycle. Biophys J (2004) 1.06
Water molecules and hydrogen-bonded networks in bacteriorhodopsin--molecular dynamics simulations of the ground state and the M-intermediate. Biophys J (2005) 0.98
An internal water-retention site in the rhomboid intramembrane protease GlpG ensures catalytic efficiency. Structure (2012) 0.89
Molecular Dynamics Computer Simulations of Multidrug RND Efflux Pumps. Comput Struct Biotechnol J (2013) 0.87
Molecular dynamics simulations reveal proton transfer pathways in cytochrome C-dependent nitric oxide reductase. PLoS Comput Biol (2012) 0.85
Dynamics of voltage profile in enzymatic ion transporters, demonstrated in electrokinetics of proton pumping rhodopsin. Biophys J (2008) 0.83
Deprotonation of D96 in bacteriorhodopsin opens the proton uptake pathway. Structure (2013) 0.81
Velocity-dependent mechanical unfolding of bacteriorhodopsin is governed by a dynamic interaction network. Biophys J (2011) 0.81
The Activation Pathway of Human Rhodopsin in Comparison to Bovine Rhodopsin. J Biol Chem (2015) 0.76
Complementarities and convergence of results in bacteriorhodopsin trimer simulations. Biophys J (2004) 0.75
Hydrogen-bonded networks along and bifurcation of the E-pathway in quinol:fumarate reductase. Biophys J (2012) 0.75
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Structural alterations for proton translocation in the M state of wild-type bacteriorhodopsin. Nature (2000) 2.37
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Extracting hydration sites around proteins from explicit water simulations. J Comput Chem (2002) 0.98
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Evidence for a perturbation of arginine-82 in the bacteriorhodopsin photocycle from time-resolved infrared spectra. Biochemistry (2000) 0.89
Subsecond proton-hole propagation in bacteriorhodopsin. Biophys J (2003) 0.85
Functional waters in intraprotein proton transfer monitored by FTIR difference spectroscopy. Nature (2005) 2.31
Proton binding within a membrane protein by a protonated water cluster. Proc Natl Acad Sci U S A (2005) 1.36
The GAP arginine finger movement into the catalytic site of Ras increases the activation entropy. Proc Natl Acad Sci U S A (2008) 1.30
Proton transfer via a transient linear water-molecule chain in a membrane protein. Proc Natl Acad Sci U S A (2011) 1.15
De novo design of conformationally flexible transmembrane peptides driving membrane fusion. Proc Natl Acad Sci U S A (2004) 1.14
N-Ras forms dimers at POPC membranes. Biophys J (2012) 1.13
Structural basis of slow activation gating in the cardiac I Ks channel complex. Cell Physiol Biochem (2011) 1.11
Catalytic mechanism of a mammalian Rab·RabGAP complex in atomic detail. Proc Natl Acad Sci U S A (2012) 1.09
In channelrhodopsin-2 Glu-90 is crucial for ion selectivity and is deprotonated during the photocycle. J Biol Chem (2012) 1.06
A phosphoryl transfer intermediate in the GTPase reaction of Ras in complex with its GTPase-activating protein. Proc Natl Acad Sci U S A (2006) 1.06
The assignment of the different infrared continuum absorbance changes observed in the 3000-1800-cm(-1) region during the bacteriorhodopsin photocycle. Biophys J (2004) 1.06
Proteins in action monitored by time-resolved FTIR spectroscopy. Chemphyschem (2005) 1.06
Coupling of light-induced electron transfer to proton uptake in photosynthesis. Nat Struct Biol (2003) 1.02
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. Biophys J (2005) 1.02
Fourier transform infrared spectroscopy on the Rap.RapGAP reaction, GTPase activation without an arginine finger. J Biol Chem (2004) 1.02
Surface change of Ras enabling effector binding monitored in real time at atomic resolution. Chembiochem (2007) 1.01
Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulations. Proc Natl Acad Sci U S A (2012) 0.99
Prediction of a ligand-binding niche within a human olfactory receptor by combining site-directed mutagenesis with dynamic homology modeling. Angew Chem Int Ed Engl (2011) 0.98
Structural changes of membrane-anchored native PrP(C). Proc Natl Acad Sci U S A (2008) 0.96
Unravelling the mechanism of dual-specificity GAPs. EMBO J (2010) 0.96
Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode. Angew Chem Int Ed Engl (2010) 0.94
Immunohistochemistry, histopathology and infrared spectral histopathology of colon cancer tissue sections. J Biophotonics (2012) 0.93
Role of the arginine finger in Ras.RasGAP revealed by QM/MM calculations. FEBS Lett (2007) 0.93
Light-induced reactions of Escherichia coli DNA photolyase monitored by Fourier transform infrared spectroscopy. FEBS J (2005) 0.92
Marker-free automated histopathological annotation of lung tumour subtypes by FTIR imaging. Analyst (2015) 0.89
Insight into catalysis of a unique GTPase reaction by a combined biochemical and FTIR approach. J Mol Biol (2006) 0.89
Prion protein alpha-to-beta transition monitored by time-resolved Fourier transform infrared spectroscopy. Appl Spectrosc (2007) 0.89
How does a membrane protein achieve a vectorial proton transfer via water molecules? Chemphyschem (2008) 0.89
The specific vibrational modes of GTP in solution and bound to Ras: a detailed theoretical analysis by QM/MM simulations. Phys Chem Chem Phys (2011) 0.89
Label-free imaging of drug distribution and metabolism in colon cancer cells by Raman microscopy. Analyst (2014) 0.89
Water dynamics simulation as a tool for probing proton transfer pathways in a heptahelical membrane protein. Proteins (2005) 0.88
The role of magnesium for geometry and charge in GTP hydrolysis, revealed by quantum mechanics/molecular mechanics simulations. Biophys J (2012) 0.87
FTIR spectroscopy of biofluids revisited: an automated approach to spectral biomarker identification. Analyst (2013) 0.87
Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding site. FEBS Lett (2008) 0.87
Secondary structure of lipidated Ras bound to a lipid bilayer. FEBS J (2008) 0.86
Early formation of the ion-conducting pore in channelrhodopsin-2. Angew Chem Int Ed Engl (2014) 0.86
Tyr39 of ran preserves the Ran.GTP gradient by inhibiting GTP hydrolysis. J Mol Biol (2010) 0.85
Does different orientation of the methoxy groups of ubiquinone-10 in the reaction centre of Rhodobacter sphaeroides cause different binding at QA and QB? Eur J Biochem (2003) 0.83
The dynamics of the catalytic site in small GTPases, variations on a common motif. FEBS Lett (2013) 0.83
The structure of active opsin as a basis for identification of GPCR agonists by dynamic homology modelling and virtual screening assays. FEBS Lett (2011) 0.82
MD simulation of protein-ligand interaction: formation and dissociation of an insulin-phenol complex. Biophys J (2003) 0.81
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. J Biol Chem (2012) 0.81
Monitoring protein-ligand interactions by time-resolved FTIR difference spectroscopy. Methods Mol Biol (2005) 0.80
Detailed structure of the H2PO4(-)-guanosine diphosphate intermediate in Ras-GAP decoded from FTIR experiments by biomolecular simulations. J Am Chem Soc (2012) 0.79
Similarity maps and hierarchical clustering for annotating FT-IR spectral images. BMC Bioinformatics (2013) 0.79
Proton uptake in the reaction center mutant L210DN from Rhodobacter sphaeroides via protonated water molecules. Biochemistry (2006) 0.79
Does F1-ATPase subunit gamma turn in the wrong direction? FEBS Lett (2003) 0.79
Universal method for protein immobilization on chemically functionalized germanium investigated by ATR-FTIR difference spectroscopy. J Am Chem Soc (2013) 0.79
Spectroscopic investigation of the reaction mechanism of CopB-B, the catalytic fragment from an archaeal thermophilic ATP-driven heavy metal transporter. FEBS J (2009) 0.79
Probing irradiation induced DNA damage mechanisms using excited state Car-Parrinello molecular dynamics. J Chem Phys (2007) 0.78
A time-resolved iron-specific X-ray absorption experiment yields no evidence for an Fe2+ --> Fe3+ transition during QA- --> QB electron transfer in the photosynthetic reaction center. Biochemistry (2006) 0.78
Empirical rules facilitate the search for binding sites on protein surfaces. J Mol Graph Model (2006) 0.78
What vibrations tell us about GTPases. Biol Chem (2015) 0.78
Colocalization of fluorescence and Raman microscopic images for the identification of subcellular compartments: a validation study. Analyst (2015) 0.78
Membrane extraction of Rab proteins by GDP dissociation inhibitor characterized using attenuated total reflection infrared spectroscopy. Proc Natl Acad Sci U S A (2013) 0.78
Label-free screening of drug-protein interactions by time-resolved Fourier transform infrared spectroscopic assays exemplified by Ras interactions. Appl Spectrosc (2010) 0.78
It's in your blood: spectral biomarker candidates for urinary bladder cancer from automated FTIR spectroscopy. J Biophotonics (2014) 0.77
Reaction mechanism of adenylyltransferase DrrA from Legionella pneumophila elucidated by time-resolved fourier transform infrared spectroscopy. J Am Chem Soc (2014) 0.76
A method for the comparison of multi-platform spectral histopathology (SHP) data sets. Analyst (2015) 0.76
Histidine is involved in coupling proton uptake to electron transfer in photosynthetic proteins. Eur J Cell Biol (2010) 0.76
Surface-attached polyhistidine-tag proteins characterized by FTIR difference spectroscopy. Chemphyschem (2012) 0.75
Spectral Pathology: general discussion. Faraday Discuss (2016) 0.75
Highlight: GTP- and ATP- dependent membrane processes. Biol Chem (2017) 0.75
Biofluids and other techniques: general discussion. Faraday Discuss (2016) 0.75
Non-invasive Diagnosis of High-grade Urothelial Carcinoma in Urine by Raman Spectral Imaging. Anal Chem (2017) 0.75
Single cell analysis/data handling: general discussion. Faraday Discuss (2016) 0.75
Immobilization of proteins in their physiological active state at functionalized thiol monolayers on ATR-germanium crystals. Chembiochem (2014) 0.75
Asymmetric rhenium tricarbonyl complexes show superior luminescence properties in live cell imaging. Chem Commun (Camb) (2016) 0.75
Polarized FTIR spectroscopy in conjunction with in situ H/D exchange reveals the orientation of protein internal carboxylic acids. J Am Chem Soc (2006) 0.75
Nanoscale distinction of membrane patches--a TERS study of Halobacterium salinarum. J Biophotonics (2012) 0.75
Monitoring protein-ligand interactions by time-resolved FTIR difference spectroscopy. Methods Mol Biol (2013) 0.75
Clinical Spectroscopy: general discussion. Faraday Discuss (2016) 0.75
FTIR spectroscopy shows structural similarities between photosystems II from cyanobacteria and spinach. Eur J Biochem (2004) 0.75