Results 211 to 220 of about 769,896 (315)

Computational Design of a TCR-Based Bispecific Engager Targeting Cancerous KRAS G12V Mutations. [PDF]

ACS Omega
Shah N, Sharma G, Patel V, Wu M, Mummadi A, Taneja A, Shah M, Le GB, Krishna M, Brah H.   +9 more
europepmc   +1 more source

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source

Microstructure‐Controlled Crack Propagation and Fracture Resistance in MoSiBTiC Alloy Revealed by Multiscale Extended Finite Element Method Modeling

Advanced Engineering Materials, EarlyView.
A two‐dimensional multiscale finite element analysis framework was established for the first‐generation MoSiBTiC alloy, and the mechanical and fracture‐related parameters of the constituent phases were calibrated through experiments and simulations. The framework provides a basis for analyzing crack propagation behavior in its complex microstructure ...
Junfeng Du, Takahiro Kaneko, Xinyu Yan, Takahito Ohmura, Kyosuke Yoshimi   +4 more
wiley   +1 more source

Computational design of bifaceted protein nanomaterials. [PDF]

Nat Mater
Rankovic S, Carr KD, Decarreau J, Skotheim R, Kibler RD, Ols S, Lee S, Chun JH, Tooley MR, Dauparas J, Eisenach HE, Glögl M, Weidle C, Borst AJ, Baker D, King NP.   +15 more
europepmc   +1 more source

The PRIMA Thesaurus for Materials Science and Engineering

Advanced Engineering Materials, EarlyView.
The PRIMA Thesaurus is a structured vocabulary designed to improve how materials science data is described and shared. Developed with input from multiple experts, it enables clear documentation of research workflows, data exchange, and reuse across platforms.
Rossella Aversa, Alexey Boubnov, Dario De Angelis, Catriona Eschke, Maximilian Kabbe, Felix Kraus, Mirco Panighel, Richard Thelen, Davide Valentinis   +8 more
wiley   +1 more source

Peptide-Based Therapeutics for Alzheimer's Disease: Medicinal Chemistry, AI-Guided Computational Design, and Blood-Brain Barrier Delivery. [PDF]

Drug Des Devel Ther
Al Khzem AH, Gomaa MS.
europepmc   +1 more source

A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science

Advanced Engineering Materials, EarlyView.
We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann, Sarath Menon, Raphael Röske, Johannes Steinhülb, Michael Selzer, Jan Janssen, Tilmann Hickel, Ruth Schwaiger, Jörg Neugebauer   +8 more
wiley   +1 more source

Computational design of a novel multi-epitope vaccine candidate against group A rotavirus. [PDF]

Virol J
Pajand O, Larimi AG, Ahmad S, Mahooti M, Mohammadi G, Sanami S.   +5 more
europepmc   +1 more source

Current Status and Challenges in Data Collection for Aerospace Coatings Deposited by Plasma Spraying

Advanced Engineering Materials, EarlyView.
An innovative approach has been integrated into the GRENAT project to optimize plasma spraying and coating performance. Raw materials are accelerated and melted in the plasma generated by torches, creating coatings. Monitoring sensors collect process data which are combined with ex situ characterization data.
Lila Randriamananjara, Vincent Rat, Quentin Dubreuil, Patrice Valorge, Simon Goutier, Alain Denoirjean, Olivier Messe, Céline Ruelle, Jean‐Philippe Poli   +8 more
wiley   +1 more source

Computational Design of Broad-Spectrum Ebola Antibodies through Framework and Complementarity-Determining Region Synergistic Optimization. [PDF]

Research (Wash D C)
Zhang X, Liu X, Zhou J, Gao P, Pan S, Yang X, Duan H, Liao Y, Zhang F, Dong X, Liu J, Chi X, Yang W.   +12 more
europepmc   +1 more source