Results 221 to 230 of about 3,593 (248)

Parameterizing non-canonical amino acids for cyclic peptide simulations. [PDF]

Methods Enzymol
Wijesiri NK, Brown BP.
europepmc   +1 more source

Triple‐Mode Ferroelectric Thin‐Film Transistor for Hybrid Electrical–Optical Reservoir Computing

Advanced Science, EarlyView.
A triple‐mode ferroelectric thin‐film transistor is developed by integrating Si3N4/HZO/IGZO layers to realize three independent memory modes: electric long‐term, electric short‐term, and optical short‐term. This single‐device architecture functions as both a reservoir and readout layer, achieving 92.43% MNIST accuracy. It offers a fully hardware‐based,
Hyeonho Lee, Seungjun Lee, Tae‐Hyeon Kim, Yonghee Jeong, Gwangmin An, Minsu Ko, Junsu Yu, Heung Soo Kim, Yang Chai, Sungjun Kim   +9 more
wiley   +1 more source

In Silico Approach for Early Antimalarial Drug Discovery: De Novo Design of Virtual Multi-Strain Antiplasmodial Inhibitors. [PDF]

Microorganisms
Kleandrova VV, Cordeiro MNDS, Speck-Planche A.   +2 more
europepmc   +1 more source

WTAP‐Mediated m6A Modification Targets the LRP1‐Lipid Metabolism Axis to Regulate Joint Cartilage Regeneration

Advanced Science, EarlyView.
WTAP drives cartilage regeneration by activating an LRP1‐dependent lipid metabolic program in macrophages, enhancing IL‐10 and TGF‐β secretion to promote chondrogenic differentiation. Leveraging this mechanism, virtual screening identifies LRP1‐targeting compounds that effectively stimulate cartilage repair, highlighting a druggable epigenetic ...
Chenyan Huang, Chenyu Deng, Zhengrong Gao, Chen Chen, Huimin Zheng, Yue Yang, Yan Wei   +6 more
wiley   +1 more source

Information-theoretic entropy and topological descriptor analysis of tin oxide (SnO₂) for structural and property prediction. [PDF]

Sci Rep
Tang JH, Saleem M, Ullah A, Din NU, Zaman S, Ahmad H, Ali P, Belay MB.   +7 more
europepmc   +1 more source

Functionalized Fullerene Nanomaterials: Evaluating Heteroatom Identity for Enhanced Charge-Transfer and Reactivity. [PDF]

Molecules
Alhuthali AMS, Amin KS, Elhaes H, Ibrahim MA.   +3 more
europepmc   +1 more source

Machine learning approach to topological graph descriptors of graphene nanoribbons. [PDF]

Front Chem
Jyothish K, Roy S, Sekar Ponnusamy C, Gayathri KB, Vijay JS, Augustine T.   +5 more
europepmc   +1 more source

From Cloudy to Clear: A Strategy to Resolve the Complex Structural Elucidation of Bicycle Drug Conjugate Zelenectide Pevedotin by NMR. [PDF]

Bioconjug Chem
Jonasson K, Feilden A, Nesbit W, Wernersson S.   +3 more
europepmc   +1 more source

Quantitative structure property relationship and multiattribute decision analysis of antianginal drugs using topological indices. [PDF]

Sci Rep
Rasheed MW, Mahboob A, Ovais A, Shabbir N, Alameri A.   +4 more
europepmc   +1 more source

CRISP: Enhancing ASE Workflows With Advanced Molecular Simulation Post-Processing. [PDF]

J Comput Chem
Saha I, Willimetz D, Grajciar L.
europepmc   +1 more source