Search Results - "Gregor, R"

N-Glycosylation Enhances Conformational Flexibility of Protein Disulfide Isomerase Revealed by Microsecond Molecular Dynamics and Markov State Modeling by Weiß, R Gregor, Losfeld, Marie-Estelle, Aebi, Markus, Riniker, Sereina

“…Secreted proteins of eukaryotes are decorated with branched carbohydrate oligomers called glycans. This fact is only starting to be considered for…”
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Confined Water Determines Transport Properties of Guest Molecules in Narrow Pores by Phan, Anh, Cole, David R, Weiß, R. Gregor, Dzubiella, Joachim, Striolo, Alberto

“…We computed the transport of methane through 1 nm wide slit-shaped pores carved out of solid substrates. Models for silica, magnesium oxide, and alumina were…”
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Curvature dependence of hydrophobic hydration dynamics by Weiß, R Gregor, Heyden, Matthias, Dzubiella, Joachim

“…We investigate the solute curvature dependence of water dynamics in the vicinity of hydrophobic spherical solutes using molecular dynamics simulations. For…”
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Variational implicit-solvent predictions of the dry–wet transition pathways for ligand–receptor binding and unbinding kinetics by Zhou, Shenggao, Weiß, R. Gregor, Cheng, Li-Tien, Dzubiella, Joachim, McCammon, J. Andrew, Li, Bo

“…Ligand–receptor binding and unbinding are fundamental biomolecular processes and particularly essential to drug efficacy. Environmental water fluctuations,…”
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Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure by Ries, Benjamin, Normak, Karl, Weiß, R. Gregor, Rieder, Salomé, Barros, Emília P., Champion, Candide, König, Gerhard, Riniker, Sereina

“…The calculation of relative free-energy differences between different compounds plays an important role in drug design to identify potent binders for a given…”
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Principles for Tuning Hydrophobic Ligand–Receptor Binding Kinetics by Weiß, R. Gregor, Setny, Piotr, Dzubiella, Joachim

“…We investigate how to tune the rate of hydrophobic ligand–receptor association due to the role of solvent in adjustable receptor pockets by explicit-water…”
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Solvent Fluctuations Induce Non-Markovian Kinetics in Hydrophobic Pocket-Ligand Binding by Weiß, R. Gregor, Setny, Piotr, Dzubiella, Joachim

“…We investigate the impact of water fluctuations on the key–lock association kinetics of a hydrophobic ligand (key) binding to a hydrophobic pocket (lock) by…”
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Altered brain network organization in adults with Asperger's syndrome: decreased connectome transitivity and assortativity with increased global efficiency by Javaheripour, Nooshin, Wagner, Gerd, de la Cruz, Feliberto, Walter, Martin, Szycik, Gregor R., Tietze, Fabian-Alexander

“…Introduction Autism spectrum disorder (ASD) is a neurodevelopmental disorder that persists into adulthood with both social and cognitive disturbances…”
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Evaluation of external stabilization of type II odontoid fractures in geriatric patients-An experimental study on a newly developed cadaveric trauma model by Jung, Matthias K, von Ehrlich-Treuenstätt, Gregor V R, Jung, Andreas L, Keil, Holger, Grützner, Paul A, Schneider, Niko R E, Kreinest, Michael

“…Along with the growing geriatric population, the number of odontoid fractures is steadily increasing. However, the effectiveness of immobilizing geriatric…”
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The effect of multisensory semantic congruency on unisensory object recognition in schizophrenia by Ghaneirad, Erfan, Borgolte, Anna, Sinke, Christopher, Čuš, Anja, Bleich, Stefan, Szycik, Gregor R.

“…Multisensory, as opposed to unisensory processing of stimuli, has been found to enhance the performance (e.g., reaction time, accuracy, and discrimination) of…”
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Structural brain changes in young males addicted to video-gaming by Mohammadi, Bahram, Szycik, Gregor R., te Wildt, Bert, Heldmann, Marcus, Samii, Amir, Münte, Thomas F.

“…•Brain gray and white matter changed due to video game addiction.•No brain area showed an increase of brain gray matter in excessive players.•Changes in brain…”
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Cognitive control in adults with high-functioning autism spectrum disorder: a study with event-related potentials by Möde, Laura, Borgolte, Anna, Ghaneirad, Erfan, Roy, Mandy, Sinke, Christopher, Szycik, Gregor R., Bleich, Stefan, Wiswede, Daniel

“…Introduction Little is known about cognitive control in adults with high-functioning forms of autism spectrum disorder because previous research focused on…”
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Analysis of remaining motion using one innovative upper airway opening cervical collar and two traditional cervical collars by Jung, Matthias K., von Ehrlich-Treuenstätt, Gregor V. R., Keil, Holger, Grützner, Paul A., Schneider, Niko R. E., Kreinest, Michael

“…The aim of this study was to compare the remaining motion of an immobilized cervical spine using an innovative cervical collar as well as two traditional…”
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Enlarged temporal integration window in schizophrenia indicated by the double-flash illusion by Haß, Katharina, Sinke, Christopher, Reese, Tanya, Roy, Mandy, Wiswede, Daniel, Dillo, Wolfgang, Oranje, Bob, Szycik, Gregor R.

“…Introduction: In the present study we were interested in the processing of audio-visual integration in schizophrenia compared to healthy controls. The amount…”
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Enhanced attentional processing during speech perception in adult high-functioning autism spectrum disorder: An ERP-study by Borgolte, Anna, Roy, Mandy, Sinke, Christopher, Wiswede, Daniel, Stephan, Michael, Bleich, Stefan, Münte, Thomas F., Szycik, Gregor R.

“…Deficits in audiovisual speech perception have consistently been detected in patients with Autism Spectrum Disorder (ASD). Especially for patients with a…”
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Intracameral Delivery of Layer‐by‐Layer Coated siRNA Nanoparticles for Glaucoma Therapy by Dillinger, Andrea E., Guter, Michaela, Froemel, Franziska, Weber, Gregor R., Perkumas, Kristin, Stamer, W. Daniel, Ohlmann, Andreas, Fuchshofer, Rudolf, Breunig, Miriam

“…Glaucoma is the second leading cause of blindness worldwide, often associated with elevated intraocular pressure. Connective tissue growth factor (CTGF) is a…”
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Coherent mesh representation for parallel I/O of unstructured polyhedral meshes by Weiß, R. Gregor, Lesnik, Sergey, Galeazzo, Flavio C. C., Ruopp, Andreas, Rusche, Henrik

“…This paper presents a new mesh data layout for parallel I/O of linear unstructured polyhedral meshes. The new mesh representation infers coherence across…”
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Brief Sensory Training Narrows the Temporal Binding Window and Enhances Long-Term Multimodal Speech Perception by Zerr, Michael, Freihorst, Christina, Schütz, Helene, Sinke, Christopher, Müller, Astrid, Bleich, Stefan, Münte, Thomas F., Szycik, Gregor R.

“…Our ability to integrate multiple sensory-based representations of our surrounding supplies us with a more holistic view of our world. There are many complex…”
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Dreaming and Lucidity in Synesthesia by Khallieva, Vlada, Sinke, Christopher, Zedler, Markus, Worthmann, Hans, Bleich, Stefan, Szycik, Gregor R.

“…Synesthesia is a phenomenon in which the stimulation of 1 sensory modality automatically and consistently over time evokes a sensation in the same or a…”
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Performance Comparison of CFD Microbenchmarks on Diverse HPC Architectures by Galeazzo, Flavio C. C., Garcia-Gasulla, Marta, Boella, Elisabetta, Pocurull, Josep, Lesnik, Sergey, Rusche, Henrik, Bnà, Simone, Cerminara, Matteo, Brogi, Federico, Marchetti, Filippo, Gregori, Daniele, Weiß, R. Gregor, Ruopp, Andreas

“…OpenFOAM is a CFD software widely used in both industry and academia. The exaFOAM project aims at enhancing the HPC scalability of OpenFOAM, while identifying…”
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