Decoupling topological and molecular features for interpretable biomolecular interaction prediction. [PDF]
Wu Q +5 more
europepmc +1 more source
AI Designed Conformation Locking Peptides Target STING to Restore Diabetic Wound Healing
A generative AI pipeline identifies SCP‐1, a conformation‐locking peptide that stabilizes inactive STING. Incorporated into a dual‐responsive hydrogel for localized, MMP‐9‐triggered release, SCP‐1 suppresses inflammation, promotes reparative macrophage polarization, and accelerates diabetic wound healing.
Xinyu Li +8 more
wiley +1 more source
End-to-End Intelligent Drug Discovery via a Scalable and Explainable Graph-Transformer Framework. [PDF]
Talaat FM +8 more
europepmc +1 more source
Single–atom iron anchored on nitrogen–doped porous biochar exhibited ultra–efficient performance, exceptional environmental resilience, and integrated adsorption–oxidation functionality. The multifunctional architecture of the support and the unparalleled reactivity of single–atom iron underpinned the cooperative adsorption and oxidation of As(III ...
Tao Sun +8 more
wiley +1 more source
An interpretable framework applying protein words to predict protein-small molecule complementary pairing rules. [PDF]
Chen J +5 more
europepmc +1 more source
A schematic model summarizing GNA15's mechanism in mediating macrophage M2 polarization and Gemcitabine resistance. ABSTRACT The complexity of pancreatic ductal adenocarcinoma (PDAC) progression, coupled with the lack of effective immunotherapy, underscores the imperative to deepen our understanding of its mechanisms and identify suitable immune ...
Weihui Guo +8 more
wiley +1 more source
Schematic diagrams illustrating the breakthrough in the screening of AChE inhibitors from LBL, and the research process of the pharmacodynamics of the NCP are presented. ABSTRACT Current Alzheimer's drugs exhibit limited effectiveness, highlighting the necessity for multi‐target treatments.
Yuping Sa +11 more
wiley +1 more source
LNMGAT: a laplacian regularized pseudo-negative mining graph attention network for robust drug-target interaction prediction under multi-scenario cold-start settings. [PDF]
Guo S, Liu W, Zou J, Ban T, Dong G.
europepmc +1 more source
Antibody-drug conjugate engineering: from design to efficacy and safety. [PDF]
Ocana A +5 more
europepmc +1 more source
BoltzOmics: Predicting genetic variant effects on drug binding with Boltz-2. [PDF]
Ngo K, Carraway KL, Clancy CE, Amini H.
europepmc +1 more source

