Results 231 to 240 of about 72,594 (306)

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

Discrete stochastic maximal regularity. [PDF]

Math Ann
Evangelopoulos-Ntemiris F, Veraar M.
europepmc   +1 more source

Inhibitory Decay and Supercritical Brain Dynamics During Sleep Deprivation

Advanced Science, EarlyView.
Sleep deprivation progressively shifts human brain dynamics from near‐critical toward supercritical states, as revealed by neuronal avalanche analysis of resting‐state fMRI. These changes track subjective sleep pressure rather than vigilance lapses and show marked network heterogeneity. A circuit model suggests that reduced inhibitory efficacy provides
Dai Zhang, Liqin Zhou, Rong Wang, Yuehua Han, Zhentao Zuo, Yanghua Tian, Ke Zhou   +6 more
wiley   +1 more source

An Analytical Framework for Phenotypic Selection of Fitness-Conferring Genes. [PDF]

Bull Math Biol
Sturrock M, Sturrock A.
europepmc   +1 more source

Backbone‐Length‐Optimized Inhibitors Deliver Long‐Retention Selectivity in Area‐Selective ALD of VO2

Advanced Science, EarlyView.
Area‐selective VO2 ALD is found to depend critically on inhibitor backbone length, which governs physisorption, chemisorption stability, and packing efficiency in a coupled manner. An intermediate backbone‐length achieves the best long‐retention selectivity, establishing a chemically and geometrically grounded design principle for small‐molecule ...
Hae Lin Yang, Eun Chong Cho, Minchan Kim, Hye In Park, Ga‐young Lee, Seunghwan Lee, Beomseok Kim, Changhwa Jung, Youngkwon Kim, Jin‐Seong Park   +9 more
wiley   +1 more source

Maintenance of polymorphism in spatially heterogeneous environments. [PDF]

Genetics
Sakamoto T, Yeaman S.
europepmc   +1 more source

Flexoelectricity in Photoconversion: Fundamentals, Materials, and Outlooks

Advanced Science, EarlyView.
Mechanical bending of a flexible cantilever induces a strain gradient in the photoactive material. The resulting flexoelectric field couples with photovoltaic and photoconductive effects, modulating charge generation, separation, and collection. A comparative analysis of oxide perovskites, halide perovskites, and two‐dimensional materials is presented,
Xiang Huang, Feng Li, Rongkun Zheng
wiley   +1 more source

A hybrid framework for compartmental models enabling simulation-based inference. [PDF]

J Math Biol
Germano DPJ, Zarebski AE, Hautphenne S, Moss R, Flegg JA, Flegg MB.   +5 more
europepmc   +1 more source

From Label‐Free Multiphoton Imaging to Pathological Reports: A Vision‐Language Breast Cancer Margin Pathological Diagnosis System

Advanced Science, EarlyView.
MarginPath is a novel vision‐language system that automates breast cancer margin assessment using a single label‐free multiphoton microscopy image. By integrating tumor‐associated collagen signatures with virtual H&E imaging, it generates accurate margin heatmaps and comprehensive diagnostic reports.
Shu Wang, Jingze Su, Xiahui Han, Deyong Kang, Xiao Zhang, Fei Xu, Changzu Liu, Junlin Pan, Xingfu Wang, Qiaohui Zhan, Aimin Wang, Feng Huang, Heping Cheng, Wenxi Liu, Ruolan Lin, Jianxin Chen   +15 more
wiley   +1 more source

Random time-shift approximation enables hierarchical Bayesian inference of mechanistic within-host viral dynamics models on large datasets. [PDF]

PLoS Comput Biol
Morris DJ, Kennedy L, Black AJ.
europepmc   +1 more source