Results 231 to 240 of about 1,282,535 (297)

SA-MTP: a structure-aware framework for multifunctional therapeutic peptide annotation. [PDF]

Brief Bioinform
Yu W, Li Z, Xu W, Zhao Y, Sun N.
europepmc   +1 more source

Toward Full Interoperability in Materials Science: Integrating Workflows With Knowledge Graphs

Advanced Engineering Materials, EarlyView.
The connection of conceptual workflow design, portable execution, and ontology‐based semantics leading to provenance‐rich knowledge graphs are main contributors to interoperability in materials science and a prerequisite to AI‐assisted orchestration and for interoperable Materials Acceleration Platforms.
Jan Janssen, Osamu Waseda, Bernd Bayerlein, Simon Stier, Steffen Brinckmann, Abril Azócar Guzmán, Sarath Menon, Matthias A. Popp, Jesper R. Pedersen, Ivano E. Castelli, Jörg Waitelonis, Wolfgang Wenzel, Jörg Neugebauer, Jörg Schaarschmidt, Tilmann Hickel   +14 more
wiley   +1 more source

Edge-aware GAT-based protein binding sites prediction. [PDF]

PLoS Comput Biol
Yang W, Zhang H, Qiu W, Xiao X, Lin W.
europepmc   +1 more source

Supporting AI Readiness Through Digital Workflows in Materials Science

Advanced Engineering Materials, EarlyView.
Digitalization drives innovation in materials science by connecting data silos and turning heterogeneous processes into reusable research pipelines. Across 13 MaterialDigital projects, digital workflows reveal complementary pathways toward AI‐ready materials research, founded on structured data, persistent artifacts, executable orchestration, and ...
Marian Bruns, Lateef Abdul, Stephan Barth, Martin Glauer, Manuel Günther, Fabian Neuhaus, Jan‐Ole Perschewski, Thomas Bjarsch, Henrik Abel, Johannes Bosch, Niklas Meyer, Peter Hofmann, Marc Drechsler, Alexander Dyck, Dhanunjaya Kumar Nerella, Marvin Tegeler, Oleg Shchyglo, Ingo Steinbach, Timo Klecker, Henk Birkholz, Ehsan Borzabadi Farahani, Bernard Fedelich, Cetin Haftaoglu, Tarakeshwar Lakshmipathy, Elena Garcia Trelles, Christoph Schweizer, Reza Darvishi Kamachali, Lukas Koschmieder, Janin Eiken, Markus Apel, Sung‐Min Wi, Jiangdong Zhao, Andreas Fezer, Nicolas Christ, Patrick Schneider, Eldor Urinov, Veit Königer, Volker Knoblauch, Janik Harter, Thomas Seifert, Thitichai Janpheng, Florian Fuchs, Fabian Teichert, Jörg Schuster, Anke Bardehle, Andreas Limper, Ulrich Giese, Carlos Lucke, Mario Beiner, Christoph Gögelein, Lisa Leuchtenberger‐Engel, Christian Hopmann, Felix Wentzien, Heike Wittek, Benjamin Klie, Alexander Röhrs, Ludger Overmeyer, Achraf Atila, Marcel Sadowski, Leopold Talirz, Jan Janssen, Jesper R. Pedersen, Peter Beck, Tejs Vegge, Ivano E. Castelli, Wolfgang Wenzel, Tilmann Hickel, Jörg Schaarschmidt   +67 more
wiley   +1 more source

Research Progress of Sepsis and Nutrition: A Bibliometric and Visualized Analysis. [PDF]

J Inflamm Res
Shang L, Cai Y, Wang S, Li J, Zhou F, Zhang M, Wang Y, Huang J, Jiang K, Yang S.   +9 more
europepmc   +1 more source

Cryogenic Deformation Behavior of TiAl and Insights Into Embrittlement After High‐Temperature Exposure Combined With Secondary Ion Mass Spectroscopy of Near Surface Chemistry

Advanced Engineering Materials, EarlyView.
Near‐surface deuterium enrichment profiles for different microstructural types of TiAl after exposure at 700 °C in a heavy water‐containing environment. The deuterium levels are significantly higher than expected from natural occurrence, indicating that the heavy water dissociated during the exposure treatment and entered the specimens.
Jonathan D. H. Paul, Alexander Welle, Dirk Matthiessen, Michael Oehring, Fritz Appel, Florian Pyczak   +5 more
wiley   +1 more source

Multiplex functional connectome graph transformer for cognitive vulnerability in dialysis-treated chronic kidney disease. [PDF]

Front Psychiatry
Zhai J, Pang J, Lei X, Yan K, Zhou J.
europepmc   +1 more source

A Multi‐Scale Machine Learning Framework for the Inverse Design of High Entropy Alloys

Advanced Engineering Materials, EarlyView.
High‐entropy alloys offer vast potential for various applications, including electrocatalysis; however, their compositional complexity challenges conventional screening. We introduce an inverse‐design framework combining two neural networks to determine optimal compositions and reconstruct nanoparticle geometry from targeted properties and conventional
Mikael Takoutsin, Marta Campolucci, Nicolas de Andrade Ishiki, Nathan Mirgot, Nadir Zhamantay, Frédéric Kanoufi, Jennifer Peron, Jean Charlety, Emiliano Fonda, Valérie Briois, Marco Faustini, Maria‐Letizia De Marco, Christine Goyhenex, Ovidiu Ersen, Hervé Bulou   +14 more
wiley   +1 more source

From trees to graphs: rethinking phylogeny in microbiome prediction. [PDF]

Appl Environ Microbiol
Yu Q, Bai D, Wang Y, Liu Y-X.
europepmc   +1 more source