Results 141 to 150 of about 497,106 (248)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

open access: yesAdvanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin   +11 more
wiley   +1 more source

Creatine and improvement in cognitive function: Evaluation of a health claim pursuant to article 13(5) of regulation (EC) No 1924/2006. [PDF]

open access: yesEFSA J
EFSA Panel on Nutrition   +17 more
europepmc   +1 more source

A Cationic Supramolecule With Potent Antifungal Activity, Single‐Species Selectivity, and Strong Synergy With Echinocandins

open access: yesAdvanced Science, EarlyView.
We introduce a new membrane‐active antifungal design, Gua‐SMACS‐16, that exhibits high potency and single‐species selectivity for C. tropicalis while sparing other close species in the Candida genus. Moreover, when combining with caspofungin, a clinical antifungal drug inhibiting 1,3‐β‐glucan synthase, they exhibit ultra‐strong synergy across a panel ...
Tianjiao Dai   +8 more
wiley   +1 more source

Beta-glucans from oats or barley and reduction of postprandial glycaemic responses: Modification of an authorised health claim pursuant to Article 13(1) of Regulation (EC) No 1924/2006 following a request in accordance with Article 19 of Regulation (EC) No 1924/2006. [PDF]

open access: yesEFSA J
EFSA Panel on Nutrition   +18 more
europepmc   +1 more source

Coffee C21 and protection of DNA from strand breaks: evaluation of a health claim pursuant to Article 13(5) of Regulation (EC) No 1924/2006. [PDF]

open access: yesEFSA J, 2020
EFSA Panel on Nutrition   +18 more
europepmc   +1 more source

Advanced Multiscale Modeling for Revealing Anomalous Fluid Transport Induced by Confinement Interfacial Layer Reconstruction in Sub‐10 nm Space

open access: yesAdvanced Science, EarlyView.
Integrating experimental insights with molecular dynamics simulations, we establish an advanced mathematical model for fluids confined in sub‐10‐nm channels, enabling quantitative prediction of interfacial layer thickness and viscosity by accounting for channel material, temperature, and fluid properties.
Xiang Zhang   +3 more
wiley   +1 more source

Physics‐Constrained Constitutive Learning of Rate‐Limiting Timescales for Efficient Hydrogen‐Based Direct Reduction for Green Steel Making

open access: yesAdvanced Science, EarlyView.
A conversion‐resolved constitutive framework is developed for the hydrogen‐based direct reduction of iron oxide pellets. Effective reaction and transport timescales are inferred directly from measured trajectories and mapped against operating conditions, pellet architecture, and composition. The analysis reveals how late‐stage transport control emerges
Anurag Bajpai   +3 more
wiley   +1 more source

'Citicoline' and support of the memory function: Evaluation of a health claim pursuant to Article 13(5) of Regulation (EC) No 1924/2006. [PDF]

open access: yesEFSA J
EFSA Panel on Nutrition   +18 more
europepmc   +1 more source

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