Results 131 to 140 of about 6,367 (240)

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

Community level trait patterns are detectable even along short stress gradients but not readily predictable under very limited soil resources. [PDF]

Sci Rep
Gafta D, Oroian S, Sămărghițan M.
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

Wanted: A population genetic theory of biological noise regulation. [PDF]

PLoS Genet
Weinreich DM, Sgouros T, Raynes Y, Burtsev H, Chang E, Rajakumar S, Bravo IG, Petak C.   +7 more
europepmc   +1 more source

A Data‐Driven Inverse Design Methodology for Magnetic Soft Millirobots Navigating in Confined Spaces

Advanced Science, EarlyView.
A data‐efficient inverse design framework automates the optimization of magnetic soft millirobots for confined‐space navigation. Integrating a physics‐based Cosserat rod model with Bayesian optimization efficiently identifies high‐performance geometries.
Ziyu Ren, Hong Wang, Chak Wang Tse, Yi Zheng, Xi Chen, Wenqi Hu   +5 more
wiley   +1 more source

Marine Benthic Community Assembly Is Taxonomically Stochastic but Functionally Deterministic in a Dynamic Coastal Sea. [PDF]

Ecol Lett
Sloots M, Franken O, Meijer KJ, van der Heide T, Govers LL, Olff H.   +5 more
europepmc   +1 more source

Mixing‐Driven Defects and Composition Evolution in Multi‐Material Metal Additive Manufacturing

Advanced Science, EarlyView.
Operando synchrotron X‐ray imaging coupled with high‐fidelity multiphysics modeling uncovers how inter‐material mixing reshapes keyhole dynamics and drives distinct pore‐formation pathways in multi‐material laser powder bed fusion (LPBF). Composition‐dependent instabilities trigger defects, whereas rescanning suppresses porosity and homogenizes Cu ...
Zhilang Zhang, Steve Gaudez, Mario Togni, Steven Van Petegem, Markus Bambach, Mamzi Afrasiabi   +5 more
wiley   +1 more source

Manifold limits on seed production by individual flowering plants. [PDF]

Am J Bot
Harder LD, Hamnett-Mount NJ.
europepmc   +1 more source

Herba Lysimachiae Polysaccharide‐Modified Selenium Nanoparticles Alleviate Oxidative Injury in Kidney Stones via TOMM22‐Regulated Mitophagy Activation

Advanced Science, EarlyView.
HLP‐SeNPs, a Lysimachia christinae polysaccharide‐modified selenium nanoparticle, treat kidney stones by downregulating TOMM22 expression, which reduces PINK1 translocation into mitochondria and promotes its retention on the outer mitochondrial membrane.
Junyi Yang, Guoruiyu Lyu, Wenlong Wan, Dongfeng Yuan, Jiabo Li, Yongqi Wang, Baokang Wang, Zhilong Ma, Yuanyuan Yang, Yang Xun, Xiao Yu   +10 more
wiley   +1 more source

Sequence sort: A new non-dominated sorting algorithm for evolutionary multi-objective optimization. [PDF]

Sci Rep
Yi Y, Chen W, Shi Y.
europepmc   +1 more source