Results 151 to 160 of about 19,688 (261)

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

Aggregation‐Controlled Triplet Exciton Regulation Enables Single‐Emitter Color‐Evolving Afterglow

open access: yesAdvanced Science, EarlyView.
A single‐emitter system based on DTP‐R luminophores enables time‐evolving afterglow through aggregation‐regulated excited‐state dynamics. The coexistence and suppression of delayed fluorescence and phosphorescence are controlled via concentration tuning and host‐guest engineering, revealing the RISC origin of delayed fluorescence and enabling ...
Yu Zhang   +14 more
wiley   +1 more source

Green light exposure reduces central sensitization in cats with osteoarthritis-associated somatosensory impairment. [PDF]

open access: yesiScience
Delsart A   +14 more
europepmc   +1 more source

Precisely Regulating 2.45 s Pure Blue Room‐Temperature Phosphorescence via Supramolecular Coordination

open access: yesAdvanced Science, EarlyView.
Herein, a pure deep blue room‐temperature phosphorescence (415 nm) with lifetime up to 2.45 s is successfully achieved by a covalently crosslinking purely organic material based on boric acid (BA) and 3,5‐dicarboxyphenylboronic acid (BOP) through a simple dehydration reaction, which can be adjusted precisely by supramolecular coordination with ...
Jun Wang   +5 more
wiley   +1 more source

Nasal Mucosal Heavy Metal Accumulation, Olfactory Dysfunction, and Histopathological Changes: A Prospective Clinical Study. [PDF]

open access: yesJ Clin Med
Malvić G   +7 more
europepmc   +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

Exploring the Paradoxical Association Between Chest CT Pulmonary Involvement and Olfactory Dysfunction in COVID-19 Patients: A Prospective Cross-Sectional Study. [PDF]

open access: yesHealth Sci Rep
Ghadimi-Moghadam A   +9 more
europepmc   +1 more source

Quantum‐Trained AI Enables Inverse Design of Organic Frontier Orbitals at Billion‐Scale

open access: yesAdvanced Science, EarlyView.
Quantum‐trained AI links molecular substructures to frontier‐orbital energetics and enables interpretable screening across nearly one billion GDB‐13 molecules. By combining fragment‐ and ring‐level insights with donor–acceptor energy alignment against ITIC, the framework narrows an immense chemical space to a small set of promising candidates and ...
Yeongnam Ko, Se Jin Kim, Ki Chul Kim
wiley   +1 more source

Home - About - Disclaimer - Privacy