AI‐Physics‐Experiment Trinity for Integrated Protein Dynamics Modeling
This review unites experiments, physics‐based simulations, and AI as a synergistic triad for protein dynamics modeling. It highlights integrative strategies, resolves sampling and forcefield bottlenecks, and outlines challenges and future directions for accurate, interpretable conformational ensemble prediction.
Chen Shi +4 more
wiley +1 more source
Metabolomic shifts in beef steers rotationally grazing toxic endophyte-infected tall fescue under fall conditions. [PDF]
Llada IM +9 more
europepmc +1 more source
Allosteric Inhibition of Polycomb Repressive Complex 2 by an EZH2‐Selective Small Molecule Inhibitor
The study characterizes C36, a highly selective EZH2/PRC2 inhibitor that acts via a novel allosteric mechanism. Unlike previous inhibitors, C36 inhibits EZH2/PRC2 by disrupting the allosteric communication between EZH2 and EED in a SAM‐noncompetitive manner.
Ting Cao +11 more
wiley +1 more source
Targeted metabolomics of organic and amino acids in giraffe milk during mid- to late-lactation. [PDF]
Osthoff G, Mason S, Davoren E, Deacon F.
europepmc +1 more source
Phylogenetic and biochemical analyses of the heme transporter CydDC reveal its functional conservation throughout bacterial evolution and demonstrate its unique asymmetric allosteric mechanism. Furthermore, impairment of CydDC function directly affects bacterial antibiotic resistance and likely compromises antibiotic efficacy through drug efflux.
Lili Yang +19 more
wiley +1 more source
Promoting Effects of Urinary Proteins from Stone Formers and Influence of Their Physicochemical Properties on Calcium Oxalate Kidney Stone Formation. [PDF]
Suttapitugsakul S +2 more
europepmc +1 more source
Lanthanide‐doped polyurea microspheres are prepared via a facile one‐step precipitation polymerization. They exhibit strong hydrogen‐bonding and coordination interactions with excellent properties, including multicolor emission, high quantum yield (75.3%), remarkable stability, redispersibility, and biocompatibility.
Guiyu Zhang +9 more
wiley +1 more source
Comparative analysis of quality characteristics and flavor compounds in caged and cage-free eggs based on untargeted flavoromics. [PDF]
Zeng H +8 more
europepmc +1 more source
Water‐induced quenching challenges organic RTP materials, but a counter‐intuitive strategy employs HOF to encapsulate carbonyl guests, where water functions as a structural reinforcer. This achieves water‐enhanced ultralong RTP with full‐color emission (blue to deep red), overcoming intracellular quenching for high‐signal cellular imaging, alongside 4D
Pengcheng Wu +3 more
wiley +1 more source
Antipathogenic carbon dots synthesized from fluorescent amino acids and their photodynamic activity. [PDF]
Suner SS +3 more
europepmc +1 more source

