Results 201 to 210 of about 505,863 (290)

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

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

Identification and Characterization of an In Silico Designed Membrane‐Active Peptide with Antiviral Properties

open access: yesAdvanced Science, EarlyView.
An evolutionary molecular dynamics platform is used to design P1.6, a membrane‐active peptide that senses lipid packing defects in viral envelopes. P1.6 adopts a stabilized α‐helical structure upon membrane contact, disrupts virus‐like liposomes, and damages HIV‐1 particles.
Pascal von Maltitz   +10 more
wiley   +1 more source

Light Therapy Alleviates Addiction‐Related Symptoms and Reshapes Habenula and Midbrain Pathways

open access: yesAdvanced Science, EarlyView.
This study investigates light therapy for treating Internet Gaming Disorder (IGD). Functional MRI (fMRI) data reveal that light therapy enhances brain connectivity, particularly between the habenula and the medial orbitofrontal cortex (mOFC). These changes are associated with reduced withdrawal symptoms and addiction severity, highlighting the ...
Jinhui Li   +10 more
wiley   +1 more source

Population‐Based Multi‐Omics and Cohort Study Identifying Predictive Biomarkers and Therapeutic Targets for Psoriatic Disease

open access: yesAdvanced Science, EarlyView.
Psoriatic disease (PsD) is a chronic skin disease, with challenges in early risk stratification and drug development. Through gene‐level causal inference framework and expression level validation, combined with longitudinal cohort study, CDSN and PRSS8 have been identified as candidate biomarkers and therapeutic targets for PsD.
Tianxing Wu   +13 more
wiley   +1 more source

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