Bio‐Inspired Molecular Events in Poly(Ionic Liquids)
Advanced Functional Materials, EarlyView.Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley +1 more source
A physics-informed graph neural network to approximate docking-based binding affinity for DYRK2 in Alzheimer's drug repurposing. [PDF]
Sci RepGider V, Budak C.
europepmc +1 more source
Deciphering Small Molecule Diffusion Parameters Across Light Responsive Polymersome Membranes
Advanced Functional Materials, EarlyView.Light‐responsive polymersomes bearing donor–acceptor Stenhouse adducts (DASAs) enable programmable control over small‐molecule transport across synthetic membranes. By systematically varying DASA density, an optimal functionalization regime is identified that maximizes light‐gated permeability.
Farzina Matubbar +7 more
wiley +1 more source
baal-nf identifies motif-disrupting variants that decrease transcription factor binding affinity. [PDF]
Genome BiolRoskams-Hieter B +2 more
europepmc +1 more source
Mechanoregulatory Effects of Cell‐Scale Microwells on Epithelial Cell Phenotype
Advanced Functional Materials, EarlyView.In small polycaprolactone microwells, A549 epithelial cells span well edges, in contrast to cells growing on flat substrates. Focal adhesion sites (yellow) concentrate at topographic boundaries, while cytoskeletal tension (magenta stress fibers) is transmitted to the nucleus (blue), reducing nuclear sphericity.
Ruiwen He +10 more
wiley +1 more source
BA-Pred and RMSD-Pred: Integrated Graph Neural Network Models for Accurate Protein-Ligand Binding Affinity and Binding Pose Prediction. [PDF]
J Chem Inf ModelSim J, Lee J.
europepmc +1 more source
Advanced Functional Materials, EarlyView.Cephalopod‐inspired photonic microparticles with dynamic structural coloration are fabricated via confined self‐assembly of linear block copolymers into ellipsoids containing stacked lamellae. Embedded superparamagnetic nanoparticles enable rapid magnetic alignment, restoring vivid, angle‐dependent color.
Gianluca Mazzotta +8 more
wiley +1 more source
ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data. [PDF]
J Chem Inf ModelEhmki ESR +4 more
europepmc +1 more source
In Situ 3D Bioprinting: Impact of Cross‐Linking on the Adhesive Properties of Hydrogels
Advanced Functional Materials, EarlyView.In situ 3D bioprinting enables the direct deposition of cell‐laden, adhesive biomaterials for on‐site tissue regeneration. This review provides a comprehensive overview of how cross‐linking influences the bioadhesive properties of hydrogels used in 3D bioprinting, highlighting cross‐linking triggers, bioadhesion mechanisms, polymer interpenetration ...
Odile Romero Fernandez +4 more
wiley +1 more source
Binding Affinity and Interaction Profiles of Erinacines and Erinacerins with iNOS and NF-<i>κ</i>B Revealed by Molecular Dynamics Simulations. [PDF]
Int J Mol SciHernandez-Munguia AM +6 more
europepmc +1 more source