Results 141 to 150 of about 95,653 (214)

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

open access: yesAdvanced 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   +8 more
wiley   +1 more source

PlantGFM: A Genomic Foundation Model for Discovery and Creation of Plant Genes

open access: yesAdvanced Science, EarlyView.
A plant genomic foundation model pre‐trained on 12 species enables both accurate gene prediction and de novo gene design. Through AI‐human knowledge screening, seven designed sequences showed transcriptional activity in plants, with two expressing stable proteins—demonstrating the first DNA‐RNA‐protein expression of LLM‐generated genes in plants and ...
Changhao Li   +10 more
wiley   +1 more source

Nucleic Acid Therapeutics for “Undruggable” Cancer Targets: Mechanisms, Challenges, and Prospects

open access: yesAdvanced Science, EarlyView.
Nucleic acid therapeutics bypass the structural limitations of conventional drugs by targeting mRNA rather than proteins. This review examines how antisense oligonucleotides, siRNAs, miRNAs, aptamers, and mRNA vaccines intervene against historically undruggable oncoproteins including Ras, MYC, and p53, highlighting mechanistic advances, delivery ...
Feng Xu   +6 more
wiley   +1 more source

Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design

open access: yesAdvanced Science, EarlyView.
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram   +4 more
wiley   +1 more source

Unconventional Hysteretic Charge Filling in Moiré‐Reconstructed Helical Trilayer Graphene

open access: yesAdvanced Science, EarlyView.
In helical trilayer graphene, sequential twisting reconstructs the moiré landscape into periodic domains separated by aperiodic boundaries. Longitudinal transport reveals sweep‐direction‐dependent hysteresis, while the Hall response traces this behavior to hysteretic charge filling at the aperiodic boundaries.
Hangyeol Park   +9 more
wiley   +1 more source

Beyond Molecular Determinism: State‐Convergent Polymerization as a Functional Design Principle Under Chemical Complexity

open access: yesAdvanced Science, EarlyView.
This work introduces state‐convergent polymerization (SCP), a polymerization framework in which chemically diverse reaction pathways converge toward a reproducible functional polymeric state rather than a defined molecular structure. Using melanin and polydopamine as exemplars, SCP explains how robust polymer functions emerge under chemical and ...
Seonki Hong
wiley   +1 more source

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