Results 81 to 90 of about 2,659 (227)

A Site‐Aware Representation Learning Framework For Unified Molecular Interaction Modeling and Generative Design

open access: yesAdvanced Science, EarlyView.
MolDBG is a site‐aware, sequence‐only framework that unifies drug‐target affinity prediction, binding‐site identification, and affinity‐conditioned molecular generation for structured proteins. Guided by multi‐task binding‐site supervision, it aligns interaction‐critical residues before learning drug‐target representations and simultaneously infers ...
Gang Luo   +6 more
wiley   +1 more source

Before Orchiectomy: Gonadal Function in Testicular Germ Cell Tumors-A Narrative Review. [PDF]

open access: yesJ Clin Med
Kaltsas A   +4 more
europepmc   +1 more source

A Unified Hierarchical Multiscale Fusion Framework for Drug–Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery

open access: yesAdvanced Science, EarlyView.
A multimodal fusion framework integrating sequence, atomic, and fragment representations captures drug–target interactions across multiple scales. The model delivers strong predictive performance and enables efficient virtual screening. Applied to hematopoietic progenitor kinase 1 (HPK1), it identifies structurally diverse inhibitors with nanomolar ...
Shuo Liu   +7 more
wiley   +1 more source

Decoding Viral Transmission Dynamics in Structured Populations Using a Microfluidic Herd‐Immunity‐on‐a‐Chip Platform

open access: yesAdvanced Science, EarlyView.
A microfluidic Herd‐Immunity‐on‐a‐Chip experimentally recreates structured contact networks to quantify viral transmission dynamics. By controlling susceptible, infected, and non‐susceptible populations, the platform reveals how contact topology governs the reproduction number, outbreak propagation, herd‐immunity–like behavior, and intervention ...
Jiande Zhang   +6 more
wiley   +1 more source

Structural Basis of Shiga Toxin Neutralization by Human Antibodies Targeting Canonical Receptor‐Binding and Non‐Canonical Assembly Sites

open access: yesAdvanced Science, EarlyView.
Cryo‐electron microscopy structures reveal two distinct neutralization mechanisms of fully human monoclonal antibodies targeting the Shiga toxin 1a B subunit. RDS059 occludes the Gb3 receptor‐binding site, whereas RDS045 engages a lateral quaternary epitope to disrupt holotoxin assembly.
Jianting Ke   +10 more
wiley   +1 more source

DIXDC1 Promotes Lymphatic Metastasis and Resistance to Cuproptosis in Bladder Cancer Through Mediating DLAT

open access: yesAdvanced Science, EarlyView.
DIXDC1 drives bladder cancer progression by binding and stabilizing DLAT. This axis enhances NEK7 and CCNE2 mRNA stability to promote proliferation and lymphatic metastasis, while limiting copper‐induced DLAT oligomerization to reduce cuproptosis sensitivity, identifying DIXDC1 as a potential target linking metastasis with cuproptosis resistance ...
Hongqiong Li   +17 more
wiley   +1 more source

Overcoming Perfusion Impairment in the Ischemic Brain: A Review. [PDF]

open access: yesNeuroSci
McKenzie AT   +4 more
europepmc   +1 more source

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