Results 201 to 210 of about 120,896 (238)

Leveraging transfer learning for accurate estimation of ionic migration barriers in solids. [PDF]

NPJ Comput Mater
Devi R, Butler KT, Sai Gautam G.
europepmc   +1 more source

Endogenous Engineering Reprograms Extracellular Vesicles for Enhanced Therapeutic Function

Advanced Science, EarlyView.
This review explains how Extracellular vesicles‐producing cells can be endogenously engineered to load therapeutic proteins and nucleic acids. We summarize physiological and genetic strategies that harness native sorting pathways for selective cargo loading.
Jinghui Wang, Wenxuan Zhao, Xiaoming Hu, Yishu Wang, Peidong Yang, Diwei Zheng, Yugang Wang, Guanghui Ma, Min Shi, Wei Wei, Shuang Wang   +10 more
wiley   +1 more source

Molecule Graph Networks with Many-Body Equivariant Interactions. [PDF]

J Chem Theory Comput
Mao Z, Hu CS, Li J, Liang C, Das D, Sumita M, Xia K, Tsuda K.   +7 more
europepmc   +1 more source

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

Advanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu, Tianshuo Wei, Yan Ge, Bo Peng, Yue Li, Maolin Wang, Peng Wen, Chao Yang, Ye Wei   +8 more
wiley   +1 more source

Reactive Machine Learning Interatomic Potentials for Chemistry and Materials Science. [PDF]

Chem Rev
Kim J, Cho H, Jeon H, Jung J, Han S.
europepmc   +1 more source

Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules in Optical Cavities. [PDF]

J Chem Theory Comput
Aklilu Y, Shepherd M, Covington CL, Varga K.   +3 more
europepmc   +1 more source

Multi-objective drug design with a scaffold-aware variational autoencoder. [PDF]

Chem Sci
Dong T, You L, Chen CY.
europepmc   +1 more source

Prediction of Protein-Ligand Binding Affinities Using Atomic Surface Site Interaction Points. [PDF]

J Chem Inf Model
Zator KJ, Storer MC, Hunter CA.
europepmc   +1 more source

Multi-View Biomedical Foundation Models for Molecule-Target and Property Prediction. [PDF]

Adv Sci (Weinh)
Suryanarayanan P, Qiu Y, Sethi S, Mahajan D, Li H, Yang Y, Eyigoz E, Guzmán-Sáenz A, Platt DE, Rumbell TH, Ng K, Dey S, Burch M, Kwon BC, Meyer P, Cheng F, Hu J, Morrone JA.   +17 more
europepmc   +1 more source