Beyond natural amino acids: extending immunogenicity risk assessment to modified peptides through chemical feature encoding. A case study on citrullination. [PDF]
Front ImmunolCairoli M +4 more
europepmc +1 more source
Advanced Functional Materials, EarlyView.Nitride MXenes remain constrained by a persistent gap between computational prediction and experimental realization. This Review identifies the thermodynamic, kinetic, and chemical barriers limiting their synthesis, critically evaluates emerging fabrication routes, and proposes a multidimensional computational‐experimental framework to accelerate the ...
Naresh Varnakavi, Masoud Soroush
wiley +1 more source
Integrating Protein Language Models with Multimodal Embeddings to Accelerate Function Prediction of Uncharacterized Proteins. [PDF]
Int J Mol SciCheng R +5 more
europepmc +1 more source
Advanced Functional Materials, EarlyView.Support‐mediated electronic modulation of Ru by phosphorus incorporation reconstructs the interfacial hydrogen‐bond network toward weakly hydrogen‐bonded water, thereby accelerating water activation and HER/OER kinetics. The resulting Ru/P‐NMO enables highly efficient overall water splitting with long‐term durability and ampere‐level AEM water ...
Huyen Thi Dao +6 more
wiley +1 more source
UNKAI: A Protein Functional Identity Prediction Model Based on ESM-C Latent Representations and the Attention Mechanism. [PDF]
Comput Struct Biotechnol JUkai K, Fujita S, Terada T.
europepmc +1 more source
Advanced Functional Materials, EarlyView.Defect‐free transfer principles enable scalable fabrication of 15 µm‐thin garnet‐based hybrid solid electrolytes. Hansen solubility parameters correlate interfacial compatibility with coating, transfer, and impregnation behavior, guiding rational selection of slurry/substrate, binder/substrate, and binder/polymer electrolyte combinations.
Seul Gi Chu +8 more
wiley +1 more source
Functional and Evolutionary Insights of NR1J1 Nuclear Receptors: A Diversified Sensing Weapon in Bivalves. [PDF]
Int J Mol SciGómez-Román MP +4 more
europepmc +1 more source
High‐Efficiency Quantum Defect Generation in Carbon Nanotubes via Oxygen‐Free Photochemistry
Advanced Functional Materials, EarlyView.We show that oxygen plays an important role in quantum defect formation in carbon nanotubes and identify reaction conditions to create a range of different quantum defects for photonics and biosensing. ABSTRACT Single‐walled carbon nanotubes (SWCNTs) offer potential for a wide range of applications from optoelectronic devices to biomedical diagnostics.
Christina Derichsweiler +6 more
wiley +1 more source
Advanced Functional Materials, EarlyView.A spatial location of atomic layer deposition (ALD)‐derived ZrO2 coatings is demonstrated to be a critical design parameter for stabilizing graphite cathodes in DIBs. Direct particle‐level ALD (PALD) screening of representative metal oxides identified ZrO2 as the coating that provides the most favorable balance of high‐rate capability and interfacial ...
Jieun Kang +7 more
wiley +1 more source
Integrated framework for targeting dynamic penicillin-binding protein 2a via ensemble structural biology and deep generative modeling. [PDF]
Front MicrobiolPang T, Zhang X, Zhou Y, Yang J.
europepmc +1 more source