Results 81 to 90 of about 141,734 (283)

White Matter Microstructural Abnormalities in Neonatal Onset Genetic Epilepsy

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Recent evidence indicates that epilepsy is associated with abnormal white matter. If seizures alter white matter, then the impact upon network function, epileptogenesis, and cognition could be pronounced in neonates undergoing rapid developmental myelination. Neonates with epilepsy due to nonstructural genetic causes provide a unique
Amanda G. Sandoval Karamian, Tianjia Zhu, Hao Huang, Shavonne L. Massey, Mark P. Fitzgerald, Darshana Parikh, Arastoo Vossough, Ingo Helbig, Nicholas S. Abend   +8 more
wiley   +1 more source

Dipeptide Frequency of Word Frequency and Graph Convolutional Networks for DTA Prediction

Frontiers in Bioengineering and Biotechnology, 2020
Deep learning is an effective method to capture drug-target binding affinity, but low accuracy is still an obstacle to be overcome. Thus, we propose a novel predictor for drug-target binding affinity based on dipeptide frequency of word frequency ...
Xianfang Wang, Xianfang Wang, Yifeng Liu, Fan Lu, Hongfei Li, Peng Gao, Dongqing Wei   +6 more
doaj   +1 more source

Distance plus attention for binding affinity prediction

Protein-ligand binding affinity plays a pivotal role in drug development, particularly in identifying potential ligands for target disease-related proteins.
Newton, MA Hakim, Sattar, Abdul, Ali, Mohammed Eunus, Rahman, Julia   +3 more
core   +1 more source

Performance comparison of BiComp encoding, against LZMA and SW encodings, for drug-target binding affinity prediction, for Davis and Kiba datasets, using feature ablation experiments.

, 2023
Performance comparison of BiComp encoding, against LZMA and SW encodings, for drug-target binding affinity prediction, for Davis and Kiba datasets, using feature ablation experiments.
Mojtaba Zamani Emani (14992775), Somayyeh Koohi (9993090), Mahmood Kalemati (14992772)   +2 more
core   +1 more source

Building a Framework for Sexual and Reproductive Health Care in the Rheumatology Context: Content and Approaches

Arthritis Care &Research, EarlyView.
People with systemic autoimmune and rheumatic diseases (SARDs) are at higher risk than the general population of experiencing adverse pregnancy and perinatal outcomes such as preeclampsia, intrauterine growth restriction, and maternal and/or fetal death.
Mehret Birru Talabi, Sonya Borrero
wiley   +1 more source

Symbolic Regression and Multi‐Objective Optimization of the Flory–Huggins Interaction Parameter for Hydrogels

Advanced Engineering Materials, EarlyView.
We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang, Adrian Ehrenhofer, Thomas Wallmersperger   +2 more
wiley   +1 more source

Human Gut Bacteria and Lipidic Nanoparticles: Particle Composition Predicts Structural Transformation and Bacterial Biocompatibility

Advanced Functional Materials, EarlyView.
Lipidic nanoparticles (LNPs) were incubated with 21 gut bacteria frequently associated with the human microbiome. SAXS revealed that ∼75% of tested species induced structural transformations in monoolein LNPs, whereas phytantriol and phospholipid formulations remained unaffected.
Jonathan Caukwell, Emily L. Gulliver, Livia Salvati Manni, Frithjof Herb, Caitlin Welsh, Samuel C. Forster, Andrew J. Clulow, Wye‐Khay Fong   +7 more
wiley   +1 more source

DynHeter-DTA: Dynamic Heterogeneous Graph Representation for Drug-Target Binding Affinity Prediction

In drug development, drug-target affinity (DTA) prediction is a key indicator for assessing the drug’s efficacy and safety. Despite significant progress in deep learning-based affinity prediction approaches in recent years, there are still ...
Changli Li, Guangyue Li
core   +1 more source

Receptor‐Free Identification of Toxic Gases Enabled by Hygroscopic Aqueous Salt Films

Advanced Functional Materials, EarlyView.
Water as a gas sensor coating sounds impossible—until it stops evaporating. Here, hygroscopic salt solutions (LiCl, LiBr, H3PO4) form non‐drying aqueous films on CNT chemiresistors under ambient air. Gases partition into these liquid layers, sometimes transforming into water, and generate salt‐specific resistance fingerprints across a four‐channel ...
Seongwoo Lee, Yun‐Tae Kim, Hwarang Choi, Sanghwan Park, Seongyeop Lim, Chang Young Lee   +5 more
wiley   +1 more source

DrugForm-DTA: Towards real-world drug-target binding affinity model

Computational and Structural Biotechnology Journal
Drug-target affinity (DTA) prediction is a fundamental challenge in drug discovery. Computational methods for predicting DTA can greatly assist drug design by narrowing the search space and reducing the number of protein-ligand complexes with low ...
Ivan Khokhlov, Anna Tashchilova, Nikolai Bugaev-Makarovskiy, Olga Glushkova, Vladimir Yudin, Anton Keskinov, Sergey Yudin, Dmitry Svetlichnyy, Veronika Skvortsova   +8 more
doaj   +1 more source