Ligand‐Induced Electronic Response Enables Predictive QM/MM Simulations
Advanced Science, EarlyView.Quantum mechanics/molecular mechanics (QM/MM) simulations are powerful tools for modeling complex molecular systems; however, their predictability has been constrained by the ambiguous definition of the QM region. An electronically informed protocol is introduced that defines QM regions by quantifying guest‐induced orbital shifts and charge ...
Nichika Ozawa +2 more
wiley +1 more source
An empirical investigation of continuance intention to use online meetings. [PDF]
Sci RepWang J, Ren S.
europepmc +1 more source
Cellular Identity Crisis: RD3 Loss Fuels Plasticity and Immune Silence in Progressive Neuroblastoma
Advanced Science, EarlyView.Researchers discovered that therapy‐induced loss of RD3 protein in neuroblastoma triggers a dangerous shift: cancer cells become more stem‐like, invasive, and resistant to treatment while evading immune detection. RD3 loss suppresses antigen presentation and boosts immune checkpoints, creating an immune‐silent environment.
Poorvi Subramanian +7 more
wiley +1 more source
The personal roles dimension of the theory of work and personal role reconciliation: a constructivist grounded theory study. [PDF]
Front Public HealthValencia-Contrera M +2 more
europepmc +1 more source
Encoding Cumulation to Learn Perturbative Nonlinear Oscillatory Dynamics
Advanced Science, EarlyView.Weak nonlinearities critically shape the long term behavior of oscillatory systems but are difficult to identify from data. A data‐driven framework is introduced to infer governing equations of weakly nonlinear oscillators from sparse and noisy observations.
Teng Ma +5 more
wiley +1 more source
Animals as Communication Partners: Ethics and Challenges in Interspecies Language Research. [PDF]
Animals (Basel)Mamzer H, Kuchtar M, Grzegorzewski W.
europepmc +1 more source
Decoding Naturalistic Episodic Memory with Artificial Intelligence and Brain‐Machine Interface
Advanced Science, EarlyView.Episodic memory weaves together what, where, and when of experience into a personal narrative. Cutting‐edge AI models may decode this intricate process in real‐life settings, revealing how neural activity encodes naturalistic memories. By merging AI with brain–machine interfaces, researchers are edging closer to mapping and even engineering memory ...
Dong Song
wiley +1 more source
Advanced 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
The neurocultural remake reflex model: An interdisciplinary tool for understanding film remakes. [PDF]
MethodsXBegum M, Mukherjee A.
europepmc +1 more source