Search Results - "Heyden, Matthias"

Heterogeneity of water structure and dynamics at the protein-water interface by Heyden, Matthias

“…In this molecular dynamics simulation study, we analyze the local structural and dynamic properties of water hydrating the protein ubiquitin on a spatial grid…”
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Resolving anisotropic distributions of correlated vibrational motion in protein hydration water by Heyden, Matthias

“…In this study, we analyze correlations of vibrational motion on the surface of a small globular protein and in its hydration shell. In contrast to single…”
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Excluded-Volume Effects in Living Cells by Gnutt, David, Gao, Mimi, Brylski, Oliver, Heyden, Matthias, Ebbinghaus, Simon

“…Biomolecules evolve and function in densely crowded and highly heterogeneous cellular environments. Such conditions are often mimicked in the test tube by the…”
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Combining THz spectroscopy and MD simulations to study protein-hydration coupling by Heyden, Matthias, Havenith, Martina

“…THz spectroscopy is combined with MD simulations to study the dynamical properties of water in the solvation shell of proteins. The solvation dynamics is found…”
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Distinct Protein Hydration Water Species Defined by Spatially Resolved Spectra of Intermolecular Vibrations by Pattni, Viren, Vasilevskaya, Tatiana, Thiel, Walter, Heyden, Matthias

“…In this molecular dynamics simulation study, we analyze intermolecular vibrations in the hydration shell of a solvated enyzme, the membrane type 1–matrix…”
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Pressure effects on collective density fluctuations in water and protein solutions by Russo, Daniela, Laloni, Alessio, Filabozzi, Alessandra, Heyden, Matthias

“…Neutron Brillouin scattering and molecular dynamics simulations have been used to investigate protein hydration water density fluctuations as a function of…”
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Stability Effect of Quinary Interactions Reversed by Single Point Mutations by Gnutt, David, Timr, Stepan, Ahlers, Jonas, König, Benedikt, Manderfeld, Emily, Heyden, Matthias, Sterpone, Fabio, Ebbinghaus, Simon

“…In cells, proteins are embedded in a crowded environment that controls their properties via manifold avenues including weak protein–macromolecule interactions…”
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Dissecting the THz spectrum of liquid water from first principles via correlations in time and space by Heyden, Matthias, Sun, Jian, Funkner, Stefan, Mathias, Gerald, Forbert, Harald, Havenith, Martina, Marx, Dominik, Klein, Michael L.

“…Solvation of molecules in water is at the heart of a myriad of molecular phenomena and of crucial importance to understanding such diverse issues as chemical…”
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Spatially Heterogeneous Surface Water Diffusivity around Structured Protein Surfaces at Equilibrium by Barnes, Ryan, Sun, Sheng, Fichou, Yann, Dahlquist, Frederick W, Heyden, Matthias, Han, Songi

“…Hydration water on the surface of a protein is thought to mediate the thermodynamics of protein–ligand interactions. For hydration water to play a role beyond…”
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Correlated structural kinetics and retarded solvent dynamics at the metalloprotease active site by Sagi, Irit, Havenith, Martina, Grossman, Moran, Born, Benjamin, Heyden, Matthias, Tworowski, Dmitry, Fields, Gregg B

“…Solvent dynamics are an often overlooked component in enzymatic activity. Terahertz spectroscopy, X-ray absorption analysis and molecular dynamics simulations…”
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Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations by Persson, Rasmus A. X, Pattni, Viren, Singh, Anurag, Kast, Stefan M, Heyden, Matthias

“…This study explores the thermodynamic and vibrational properties of water in the three-dimensional environment of solvated ions and small molecules using…”
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Watching the Low-Frequency Motions in Aqueous Salt Solutions: The Terahertz Vibrational Signatures of Hydrated Ions by Funkner, Stefan, Niehues, Gudrun, Schmidt, Diedrich A, Heyden, Matthias, Schwaab, Gerhard, Callahan, Karen M, Tobias, Douglas J, Havenith, Martina

“…The details of ion hydration still raise fundamental questions relevant to a large variety of problems in chemistry and biology. The concept of water…”
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extended dynamical hydration shell around proteins by Ebbinghaus, Simon, Kim, Seung Joong, Heyden, Matthias, Yu, Xin, Heugen, Udo, Gruebele, Martin, Leitner, David M, Havenith, Martina

“…The focus in protein folding has been very much on the protein backbone and sidechains. However, hydration waters make comparable contributions to the…”
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Hydration Dynamics of a Peripheral Membrane Protein by Fisette, Olivier, Päslack, Christopher, Barnes, Ryan, Isas, J. Mario, Langen, Ralf, Heyden, Matthias, Han, Songi, Schäfer, Lars V

“…Water dynamics in the hydration shell of the peripheral membrane protein annexin B12 were studied using MD simulations and Overhauser DNP-enhanced NMR. We show…”
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Terahertz absorption of dilute aqueous solutions by Heyden, Matthias, Tobias, Douglas J, Matyushov, Dmitry V

“…Absorption of terahertz (THz) radiation by aqueous solutions of large solutes reports on the polarization response of their hydration shells. This is because…”
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Anomalous behavior of water inside the SecY translocon by Capponi, Sara, Heyden, Matthias, Bondar, Ana-Nicoleta, Tobias, Douglas J., White, Stephen H.

“…The heterotrimeric SecY translocon complex is required for the cotranslational assembly of membrane proteins in bacteria and archaea. The insertion of…”
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Allosteric mechanism of water-channel gating by Ca2+–calmodulin by Reichow, Steve L, Clemens, Daniel M, Freites, J Alfredo, Németh-Cahalan, Karin L, Heyden, Matthias, Tobias, Douglas J, Hall, James E, Gonen, Tamir

“…Calmodulin (CaM) regulates a variety of membrane channels in response to Ca2+, but the precise mechanisms are still unclear. Now a combination of…”
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Orientation of non-spherical protonated water clusters revealed by infrared absorption dichroism by Daldrop, Jan O., Saita, Mattia, Heyden, Matthias, Lorenz-Fonfria, Victor A., Heberle, Joachim, Netz, Roland R.

“…Infrared continuum bands that extend over a broad frequency range are a key spectral signature of protonated water clusters. They are observed for many…”
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Exploring hydrophobicity by THz absorption spectroscopy of solvated amino acids by Niehues, Gudrun, Heyden, Matthias, Schmidt, Diedrich A, Havenith, Martina

“…Although hydrophobicity is a commonly used concept, its microscopic nature, particularly in the context of hydration, is not well understood. Here, we present…”
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From single proteins to efficient simulation models of the cytoplasm by Heyden, Matthias

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