Results 251 to 260 of about 769,896 (315)

Complete computational design of high-efficiency Kemp elimination enzymes. [PDF]

Nature
Listov D, Vos E, Hoffka G, Hoch SY, Berg A, Hamer-Rogotner S, Dym O, Kamerlin SCL, Fleishman SJ.   +8 more
europepmc   +1 more source

New AI‐Assisted Approach for Expanding the Solution Space: Application to Lattice Structure Design

Advanced Engineering Materials, EarlyView.
This work introduces an innovative framework for designing structured materials by ex panding the design space through reparameterization of qualitative variables into continuous structural descriptors. Combined with machine‐learning‐based prediction and multi‐objective optimization, the approach enables the discovery of novel lattice architectures ...
G. H. Gahimbare, Y. Beideler, D. Chune, R. De Guio, T. Roland, H. Chibane   +5 more
wiley   +1 more source

Computational design of a multi-epitope vaccine against Helicobacter pylori targeting CagA, FliD, urease, and OipA with cholera toxin B subunit (CTB) adjuvant. [PDF]

BMC Microbiol
Baniasadi Nejad N, Shahbazi B, Sarkoohi P, Ahmadi N, Ahmadi K.   +4 more
europepmc   +1 more source

DigiChrom: A Domain Ontology for Semantic Representation of Trivalent Chromium Platings and Its Large Language Model‐Based Alignment With Multiple Mid‐Level Ontologies

Advanced Engineering Materials, EarlyView.
Digitalizing electroplating requires both domain knowledge and interoperability. This work introduces PlatOn, a domain ontology for trivalent chromium plating and coating characterization, and a hybrid pipeline that aligns it to a mid‐level reference ontology by combining eight similarity metrics with language model reasoning. Expert‐validated mappings
Janik Harter, Elena Garcia Trelles, Christoph Schweizer, Thomas Seifert, Christoph Baumer, Mahmoud Elkady, Katja Feige, Daniel Grimme, Edgar Hoffmann, Andreas Waibel, Anke Walter   +10 more
wiley   +1 more source

Extrusion‐Based Additive Manufacturing of Advanced Ceramics: Strengthening Mechanisms and Process Optimization Review

Advanced Engineering Materials, EarlyView.
This review comprehensively evaluates extrusion‐based additive manufacturing for advanced ceramics, detailing feedstock options and key process parameters. By critically addressing defect mechanisms like porosity and cracking, the work highlights optimization strategies through machine learning and advanced postprocessing.
Meisam Bakhtiari, Mohammad Hadi Sheikh‐Ansari, Avinash Borgaonkar, Mehran Dadkhah, Abdollah Saboori   +4 more
wiley   +1 more source

High‐Resolution Corrosion Fingerprinting of Alloy Libraries via Microdroplet Spectroelectrochemistry

Advanced Engineering Materials, EarlyView.
Ionic‐liquid microdroplet spectroelectrochemistry enables stable, localized electrochemical measurements over extended timescales. By coupling impedance spectroscopy, wetting analysis, finite‐element simulations, and operando Raman spectroscopy, it disentangles geometrical and electrochemical effects, opening new opportunities for rapid corrosion ...
Ekaterina Kurchavova, Oumaïma Gharbi, Mireille Turmine, Vincent Vivier   +3 more
wiley   +1 more source

Computational design of ductility and phase stability in W-Ti-V-Cr refractory multiprincipal element alloys for fusion applications. [PDF]

Sci Rep
Pitike KC, Robin IK, El Atwani O, Setyawan W.   +3 more
europepmc   +1 more source

Computational Design of Lysine Targeting Covalent Binders Using Rosetta. [PDF]

J Chem Inf Model
Tivon B, Wiese J, Müller MP, Gabizon R, Rauh D, London N.   +5 more
europepmc   +1 more source

From sequence to scaffold: Computational design of protein nanoparticle vaccines from AlphaFold2-predicted building blocks. [PDF]

Proc Natl Acad Sci U S A
Haas CM, Jasti N, Dosey A, Allen JD, Gillespie R, McGowan J, Leaf EM, Crispin M, DeForest CA, Kanekiyo M, King NP.   +10 more
europepmc   +1 more source