Results 161 to 170 of about 6,303,129 (314)

A literature review of fault diagnosis based on ensemble learning

open access: yesEngineering applications of artificial intelligence
Zhibao Mian   +6 more
semanticscholar   +1 more source

Generating Dynamic Structures Through Physics‐Based Sampling of Predicted Inter‐Residue Geometries

open access: yesAdvanced Science, EarlyView.
While static structure prediction has been revolutionized, modeling protein dynamics remains elusive. trRosettaX2‐Dynamics is presented to address this challenge. This framework leverages a Transformer‐based network to predict inter‐residue geometric constraints, guiding conformation generation via physics‐based iterative sampling. The resulting method
Chenxiao Xiang   +3 more
wiley   +1 more source

AI‐Based D‐Amino Acid Substitution for Optimizing Antimicrobial Peptides to Treat Multidrug‐Resistant Bacterial Infection

open access: yesAdvanced Science, EarlyView.
This study constructed the first D‐amino acid antimicrobial peptide dataset and developed an AI model for efficient screening of substitution sites, with 80% of candidate peptides showing enhanced activity. The lead peptide dR2‐1 demonstrated potent antimicrobial activity in vitro and in vivo, high stability, and low toxicity.
Yinuo Zhao   +14 more
wiley   +1 more source

Vocal features based Parkinson's detection: An ensemble learning approach. [PDF]

open access: yesMethodsX
Chakole M   +5 more
europepmc   +1 more source

Hierarchical Embedded Sphere Model: An Interpretable ML‐Guided Multiscale Descriptor Engineering Decodes OER Activity on TM@MO2 Catalysts

open access: yesAdvanced Science, EarlyView.
Hierarchical Embedded Sphere Model combines DFT and interpretable machine learning to decode catalytic activity on TM‐doped MO2. It disentangles global electronic, active‐site, and local coordination effects, revealing two activation mechanisms: dopant‐driven (Rh@MO2) and coordination‐mediated (Fe@ZrO2).
Ziyuan Li   +5 more
wiley   +1 more source

Achieving Chemical Accuracy in Cyclodextrin Host–Guest Binding via Integrative Atomistic Modelling

open access: yesAdvanced Science, EarlyView.
A generalizable computational framework is presented that overcomes long‐standing challenges in modelling cyclodextrin host‐guest binding by integrating host‐specific force‐field refinement, equilibrium enhanced sampling, nonequilibrium alchemical switching, convolution sampling of independent works, rigorous finite‐size corrections, and QM‐based ...
Xiaohui Wang   +7 more
wiley   +1 more source

Ensemble learning prediction model for intraoperative hemodynamic instability in patients with pheochromocytoma. [PDF]

open access: yesFront Endocrinol (Lausanne)
Liu Y   +11 more
europepmc   +1 more source

Higher‐Level Structural Classification of Pseudomonas Cyclic Lipopeptides through Their Bioactive Conformation

open access: yesAdvanced Science, EarlyView.
Solution structures of a series of cyclic lipodepsipeptides from Pseudomonas reveal that these specialized metabolites adopt left‐handed alpha helical conformations of only two types, being either ‘stapled’ or ‘catch‐pole’ helix. The particular modular distribution of the biosynthetic gene clusters is found to determine the extent of their conserved ...
Benjámin Kovács   +9 more
wiley   +1 more source

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