Results 241 to 250 of about 11,355 (303)

Integrative Modeling in the Age of Machine Learning: A Summary of HADDOCK Strategies in CAPRI Rounds 47–55

open access: yesProteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT The HADDOCK team participated in CAPRI rounds 47–55 as server, manual predictor, and scorers. Throughout these CAPRI rounds, we used a plethora of computational strategies to predict the structure of protein complexes. Of the 10 targets comprising 24 interfaces, we achieved acceptable or better models for 3 targets in the human category and 1 ...
Victor Reys   +16 more
wiley   +1 more source

Regional Sustainability Assessment Under Risk and Uncertainty: A Water–Energy–Food Based Framework

open access: yesSustainable Development, EarlyView.
ABSTRACT Regional sustainability assessment requires integrated structures that can examine the interactions between Water–Energy–Food (WEF) systems, socio‐economic risk conditions, and performance outcomes under uncertainty. This study proposes a multidimensional framework that combines a suitability index, composite sustainability indicators ...
Murat Oturakci
wiley   +1 more source

Decoding α‐MoC1−x Nanoparticle Formation in Continuous Flow via Machine Learning

open access: yesSmall, EarlyView.
Formation pathway of α‐MoC1−x nanoparticles synthesized from oleylamine‐Mo(CO)6 precursor under mild continuous‐flow conditions was investigated. By combining in‐line spectroscopic monitoring with a machine learning (ML) framework capable of deconvoluting complex, overlapping spectral features, we reveal mechanistic details of early‐transition‐metal ...
Bin Pan   +7 more
wiley   +1 more source

Near‐Atomic Investigation on the Elemental Redistribution During Coprecipitation of Nano‐Sized Kappa‐Type and B2 Precipitates in an Al‐Alloyed Lightweight Steel

open access: yessteel research international, EarlyView.
Elemental redistribution during coprecipitation of kappa (κ)‐type and B2 precipitates in an Al‐alloyed lightweight steel is revealed by atom probe tomography (APT) and density functional theory (DFT). Fe and Ni redistribution promotes the evolution of B2 phase from NiAl‐type toward FeAl‐type and improves the stability of κ and B2 phases during ...
Bowen Zou   +6 more
wiley   +1 more source

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