Results 41 to 50 of about 603,627 (298)

Minimizing the Number of Detrimental Objects in Multi-Dimensional Graph-Based Codes [PDF]

, 2019
In order to meet the demands of data-hungry applications, data storage devices are required to be increasingly denser. Various sources of error appear with this increase in density. Multi-dimensional (MD) graph-based codes are capable of mitigating error
Calderbank, Robert, Hareedy, Ahmed, Kuditipudi, Rohith   +2 more
core   +2 more sources

Harvesting graphics power for MD simulations [PDF]

Molecular Simulation, 2008
12 pages, 5 figures.
van Meel, J.A., Arnold, A., Frenkel, D., Portegies Zwart, S.F., Belleman, R.G.   +4 more
openaire   +5 more sources

Transferrin receptor 1‐mediated iron uptake supports thermogenic activation in human cervical‐derived adipocytes

FEBS Letters, EarlyView.
In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai, Mizuki Seo, Gyath Karadsheh, Fachrur Rizal Mahendra, Máté Á Demény, Ferenc Győry, János András Mótyán, László Fésüs, Endre Kristóf, Rini Arianti   +9 more
wiley   +1 more source

Contact mechanics with adhesion: Interfacial separation and contact area

, 2008
We study the adhesive contact between elastic solids with randomly rough, self affine fractal surfaces. We present molecular dynamics (MD) simulation results for the interfacial stress distribution and the wall-wall separation.
, B. N. J. Persson, Bowden F. P., C. Yang, Israelachvili J. N., J. Israelachvili, Johnson K. L., K. Rosenberg, Lorenz B. Persson B. N. J., Persson B. N. J., Persson B. N. J., Persson B. N. J., Yang C., Yang C.   +13 more
core   +1 more source

Molecular modeling of an antigenic complex between a viral peptide and a class I major histocompatibility glycoprotein [PDF]

, 1992
Computer simulation of the conformations of short antigenic peptides (&lo residues) either free or bound to their receptor, the major histocompatibility complex (MHC)- encoded glycoprotein H-2 Ld, was employed to explain experimentally determined ...
Allen, Babbit, Bjorkman, Buus, Chen, Cramer, Del Val, DeLisi, Falk, Fauchère, Garrett, Jorgensen, Kidera, Kourilsky, Krug, Lambert, Lambert, Lambert, Margalit, Maryanski, Owen, Reddehase, Reddehase, Reddehase, Rötzschke, Saper, Schwartz, Serrano, Sette, Tirado-Rives, Townsend, Townsend, Townsend, Unanue, Van Bleek, Weiner, Wendoloski, Wold, Zinkernagel   +38 more
core   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Wilhelmy equation revisited: a lightweight method to measure liquid-vapor, solid-liquid and solid-vapor interfacial tensions from a single molecular dynamics simulation

, 2020
We have given theoretical expressions for the forces exerted on a quasi-2D flat and smooth solid plate immersed into a liquid pool of a simple liquid.
Bistafa, Carlos, Imaizumi, Yuta, Kusudo, Hiroki, Omori, Takeshi, Yamaguchi, Yasutaka   +4 more
core   +1 more source

A methionine‐lined active site governs carbocation stabilization and product specificity in a bacterial terpene synthase

FEBS Letters, EarlyView.
This study reveals a unique active site enriched in methionine residues and demonstrates that these residues play a critical role by stabilizing carbocation intermediates through novel sulfur–cation interactions. Structure‐guided mutagenesis further revealed variants with significantly altered product profiles, enhancing pseudopterosin formation. These
Marion Ringel, Carl P. O. Helmer, Shani Zev, Ronja Driller, Emily Buhr, Markus Reinbold, Renana Schwartz, Gabriel Foley, Mikael Boden, Daniel Garbe, Gerhard Schenk, Dan Thomas Major, Bernhard Loll, Thomas Brück   +13 more
wiley   +1 more source

Unlocking the Potential of Papuan Red Fruit (Pandanus conoideus Lamk): A Comprehensive Exploration of Its Role in COVID-19 Inhibition Through Molecular Docking and Molecular Dynamics Simulation

Indonesian Journal of Chemistry
Indonesia's rich flora has long been used in traditional herbal medicine, and scientific research is now confirming the health benefits of these plants.
Agus Dwi Ananto, Harno Dwi Pranowo, Winarto Haryadi, Niko Prasetyo   +3 more
doaj   +1 more source

Peroxidasin enables melanoma immune escape by inhibiting natural killer cell cytotoxicity

Molecular Oncology, EarlyView.
Peroxidasin (PXDN) is secreted by melanoma cells and binds the NK cell receptor NKG2D, thereby suppressing NK cell activation and cytotoxicity. PXDN depletion restores NKG2D signaling and enables effective NK cell–mediated melanoma killing. These findings identify PXDN as a previously unrecognized immune evasion factor and a potential target to improve
Hsu‐Min Sung, David Bickel, Lena C. M. Krause, Daria Ezeriņa, Christian Ickes, Julian Wojtachnia, Christine S. Gibhardt, Magdalena Shumanska, Khadija Wahni, Andrea Paluschkiwitz, Julia Malo Pueyo, Ekaterina Baranova, Wim Vranken, Hedwig Stanisz, Ioana Stejerean‐Todoran, Michael P. Schön, Joris Messens, Ivan Bogeski   +17 more
wiley   +1 more source