Results 151 to 160 of about 2,051,541 (361)

Learned Conformational Space and Pharmacophore Into Molecular Foundational Model

open access: yesAdvanced Science, EarlyView.
The Ouroboros model introduces two orthogonal modules within a unified framework that independently learn molecular representations and generate chemical structures. This design enables flexible optimization strategies for each module and faithful structure reconstruction without prompts or noise.
Lin Wang   +8 more
wiley   +1 more source

Enhanced natural parameterized quantum circuit

open access: yesPhysical Review Research
The classical-quantum interface for loading classical data into quantum systems is an indispensable component of quantum information processing, and the parameterized quantum circuit (PQC) represents significant methodology in this area.
Yuquan Chen   +6 more
doaj   +1 more source

A Quantum Framework for Protein Binding‐Site Structure Prediction on Utility‐Level Quantum Processors

open access: yesAdvanced Science, EarlyView.
This study presents a hybrid quantum‐classical framework for accurate prediction of protein structures on utility‐level quantum processors. We evaluate the practical application of the Variational Quantum Eigen‐solver (VQE) in protein structure prediction and demonstrate its superiority over state‐of‐the‐art deep learning methods in molecular docking ...
Yuqi Zhang   +10 more
wiley   +1 more source

Quantum Computing Meets Deep Learning: A QCNN Model for Accurate and Efficient Image Classification

open access: yesMathematics
In deep learning, Convolutional Neural Networks (CNNs) serve as fundamental models, leveraging the correlational structure of data for tasks such as image classification and processing.
Sunil Prajapat   +4 more
doaj   +1 more source

Parameterized Complexity of Paired Domination

open access: yes
The Paired Domination problem is one of the well-studied variants of the classical Dominating Set problem. In a graph G on nvertices, a dominating set D (set of vertices such that N[D] = V (G)) is called a paired dominating set of G, if G[D] has perfect matching. In the Paired Domination problem, given a graph G and a positive integer k, the task is to
Andreev, Nikita   +5 more
openaire   +2 more sources

HSP70 Interactome‐Mediated Proteolysis Targeting Chimera (HSP70‐PROTAC) for Ferroptosis‐Driven Cancer Treatment

open access: yesAdvanced Science, EarlyView.
This study reports a novel targeted protein degradation strategy termed “HSP70‐PROTAC” that recruits Hsc70 complex to a target protein for inducing degradation. Among them, GDAz‐3 exhibits effective GPX4 degradation activity via UPS/CMA processes, triggering ferroptosis‐driven anticancer activity in vitro and in vivo.
Jinyun Dong   +15 more
wiley   +1 more source

Mapping Charge Interactions in Intrinsically Disordered Proteins

open access: yesAdvanced Science, EarlyView.
This study presents analytical models to predict intrachain distances in intrinsically disordered proteins (IDPs), accounting for charge patterning, salt concentration, and electrostatic effects. Validated against single‐molecule FRET data, a minimal‐parameter polymer model is identified that captures key interactions and chain dimensions. These models
Michael Phillips   +14 more
wiley   +1 more source

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