Results 111 to 120 of about 92,055 (268)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Translational Gap in Biomarker Discovery: Tumor Surface Markers Rarely Mirror Circulating Levels

Annals of Gastroenterological Surgery, EarlyView.
ABSTRACT Background Tumor‐associated cell surface proteins are frequently proposed as circulating biomarkers for colorectal cancer (CRC) based on their high tumor expression. However, many candidates identified through tissue‐based analyses fail to translate into clinically useful biomarkers.
Junko Mukohyama, Shohei F. Fujita, Xinyi Fu, Shigenori Suzuki, Hiroki Hamamoto, Dai Shida, Kimihiro Yamashita, Kohei Taniguchi, Sang‐Woong Lee, Akihide Yoshimi   +9 more
wiley   +1 more source

The nucleic acid database. A comprehensive relational database of three-dimensional structures of nucleic acids

Biophysical Journal, 1992
Berman, H.M., Olson, W.K., Beveridge, D.L., Westbrook, J., Gelbin, A., Demeny, T., Hsieh, S.H., Srinivasan, A.R., Schneider, B.   +8 more
openaire   +2 more sources

Machine Learning‐Enhanced Random Matrix Theory Design for Human Immunodeficiency Virus Vaccine Development

Advanced Intelligent Discovery, EarlyView.
This study integrates random matrix theory (RMT) and principal component analysis (PCA) to improve the identification of correlated regions in HIV protein sequences for vaccine design. PCA validation enhances the reliability of RMT‐derived correlations, particularly in small‐sample, high‐dimensional datasets, enabling more accurate detection of ...
Mariyam Siddiqah, Muhammad Zulqarnain Zeb, Muhammad Husnain Zeb, Babar Shabbir   +3 more
wiley   +1 more source

CoSMIC: A hybrid approach for large-scale, high-resolution microbial profiling of novel niches.

PLoS ONE
Standard microbial profiling based on 16S rRNA (16S) sequencing suffers from a lack of primer universality, primer biases, and often yields low resolution.
Maor Knafo, Shahar Rezenman, Tal Idan, Michael Elgart, Shlomi Dagan, Vered Zavaro, Ziv Reich, Ruti Kapon, Dagan Sade, Noam Shental   +9 more
doaj   +1 more source

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

Advanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova, Michael Nicholls, Nicola Russo, Gueorgui Mihaylov, Konstantin Nikolic   +4 more
wiley   +1 more source

Interpretability and Representability of Commutative Algebra, Algebraic Topology, and Topological Spectral Theory for Real‐World Data

Advanced Intelligent Discovery, EarlyView.
This article investigates how persistent homology, persistent Laplacians, and persistent commutative algebra reveal complementary geometric, topological, and algebraic invariants or signatures of real‐world data. By analyzing shapes, synthetic complexes, fullerenes, and biomolecules, the article shows how these mathematical frameworks enhance ...
Yiming Ren, Guo‐Wei Wei
wiley   +1 more source

Network toxicology combined with molecular docking technology to explore the molecular mechanism of amatoxin causing liver injury

Scientific Reports
As one of the most toxic molecules in the fungal kingdom, amatoxin exhibit exceptional thermal stability and acid resistance. Once ingested, these compounds are rapidly absorbed and transported unimpeded to vital organs.
Chenglin Wang, Xin Wang, Yaxing Deng, Yingchun Hu, Li Hu   +4 more
doaj   +1 more source

Nucleic acid squence database computer system [PDF]

Nucleic Acids Research, 1982
Bruce C. Orcutt, David G. George, J. A. Fredrickson, Margaret Oakley Dayhoff   +3 more
openaire   +2 more sources

Exosome‐mediated gut–brain axis signaling in neurodegenerative diseases: Mechanisms, experimental evidence, and therapeutic perspectives—A narrative review

Animal Models and Experimental Medicine, EarlyView.
The gut–brain axis is a bidirectional communication network between the intestines and brain, mediated by gut microbiota and exosomes, that regulates neuroinflammation, protein aggregation, and neuronal health processes central to neurodegenerative diseases.
Waheeb Sami Aggad, Rakesh Ghosh, Hailah M. Almohaimeed, Zuhair M. Mohammedsaleh, Fayez M. Saleh, Amany I. Almars, S. Renuka Jyothi, Rajashree Panigrahi, Ajoy Kumer, Bikram Dhara   +9 more
wiley   +1 more source