Results 251 to 260 of about 446,524 (307)

DynMoCo: A novel AI framework to reveal modular substructures of protein from molecular dynamics. [PDF]

Biophys J
Mao L, Kwak M, Kazemipour Ashkezari AH, Li Z, Cong P, Chen Y, Phee JH, Kang S, Li J, Zhu C.   +9 more
europepmc   +1 more source

Polymer Infiltration Into SURMOF Channels Enables Hydrophobic and Solid‐Like Slippery Functional Thin Films

Advanced Functional Materials, EarlyView.
We report a polymer‐chain insertion strategy to fabricate pore‐threaded MOF thin films with precisely tuned surface chemistry and wettability. Grafting n‐alkane chains into the pillared layer Cu2(bdc)2(dabco) MOF thin film's vertical nanochannels enhances water stability, and induces hydrophobicity and lubricant‐free, solid‐like slippery behavior ...
Angana Borbora, Modan Liu, Hartmut Gliemann, Uttam Manna, Christof Wöll   +4 more
wiley   +1 more source

Multi-Modal Fusion Frameworks of Subgraph-Optimized Graph Autoencoder for Molecular Property Prediction. [PDF]

J Chem Inf Model
Zhang K, Han C, Zhang F, Lin C, Li Q, Zang T, Zhao Y.   +6 more
europepmc   +1 more source

Artifact‐Minimizing Ultrathin Transparent Electrodes Fabricated via iCVD for In Vivo Optogenetic Stimulation and Neural Signal Monitoring of Primary Visual Cortex

Advanced Functional Materials, EarlyView.
We present ultrathin flexible transparent electrodes through iCVD‐enabled molecular control of 10 nm gold films on poly(dimethylaminomethylstyrene). In vivo validation demonstrated photoelectric artifact reduction vs. opaque electrodes and preservation of natural neural dynamics.
Tae Jin Mun, Minju Kim, Chaesung Kim, Yunyoung Choi, In‐Yeop Baek, Younghak Cho, Gyeongyong Lee, Yerim Jang, Min‐Ho Nam, Wonryung Lee, Maesoon Im, Hyejeong Seong   +11 more
wiley   +1 more source

HYG-mol: An Interpretable Multimodal Hypergraph Framework for Molecular Property Prediction. [PDF]

Comput Struct Biotechnol J
Ma J, Yang Q, Zhang L, Liu H, Zheng Y.
europepmc   +1 more source

GLaD: Synergizing Molecular Graphs and Language Descriptors for Enhanced Power Conversion Efficiency Prediction in Organic Photovoltaic Devices

Thao Nguyen, Tiara Torres-Flores, Changhyun Hwang, Carl N. Edwards, Ying Diao, Heng Ji   +5 more
openalex   +1 more source

MoGraphDRP: Multi-omics and graph fusion with bilinear attention for predicting drug sensitivity. [PDF]

PLoS One
Ahmadi Z, Pirgazi J, Sorkhi AG.
europepmc   +1 more source

Graph former-CL: A novel graph transformer with contrastive learning framework for enhanced drug-drug interaction prediction. [PDF]

PLoS One
Amiri M, Zare O.
europepmc   +1 more source

DDI-LLM: Predicting unseen Drug–Drug Interactions using Large Language Models and molecular graphs

Mohammad Tanhaei
openalex   +1 more source

Predictive modeling for physicochemical properties of β-lactam antibiotics through eigenvalue based topological indices and non linear regression techniques. [PDF]

Sci Rep
Yuvaraj A, Kalaimurugan G, Thamizhmaran R, Tajudeen MM, Contreras RC.   +4 more
europepmc   +1 more source