Results 191 to 200 of about 338,685 (349)

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

Peer Review #3 of "Empirical mode decomposition using deep learning model for financial market forecasting (v0.1)"

open access: gold, 2022
Jin Zebin   +99 more
openalex   +2 more sources

SAGE: Spatially Aware Gene Selection and Dual‐View Embedding Fusion for Domain Identification in Spatial Transcriptomics

open access: yesAdvanced Science, EarlyView.
SAGE is a unified framework for spatial domain identification in spatial transcriptomics that jointly models tissue architecture and gene programs. Topic‐driven gene selection (NMF plus classifier‐based scoring) highlights spatially informative genes, while dual‐view graph embedding fuses local expression and non‐local functional relations.
Yi He   +5 more
wiley   +1 more source

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