Results 191 to 200 of about 85,851 (265)

Predicting protein-nucleic acid flexibility using persistent sheaf Laplacians.

Phys Chem Chem Phys
Hayes N, Merkurjev E, Wei GW.
europepmc   +1 more source

Direct Arylation of 1,10-Phenanthroline Using an Organomagnesium Reagent. [PDF]

ACS Omega
Hirscher NA, Van Esselstine JBO, Yapo BC, Asif Masood N, Vandooijeweert EL.   +4 more
europepmc   +1 more source

On One Mathematical Model For Filtration Of Weakly Compressible Chemical Compound In The Porous Heterogeneous 3D Medium. Part I: Model Construction With The Aid Of The Ollendorff Approach

, 2013
Sharif E. Guseynov, Jekaterina V. Aleksejeva, Janis S. Rimshans   +2 more
openalex   +1 more source

Generating Dynamic Structures Through Physics‐Based Sampling of Predicted Inter‐Residue Geometries

Advanced Science, EarlyView.
While static structure prediction has been revolutionized, modeling protein dynamics remains elusive. trRosettaX2‐Dynamics is presented to address this challenge. This framework leverages a Transformer‐based network to predict inter‐residue geometric constraints, guiding conformation generation via physics‐based iterative sampling. The resulting method
Chenxiao Xiang, Wenkai Wang, Zhenling Peng, Jianyi Yang   +3 more
wiley   +1 more source

A Review of Topological Data Analysis and Topological Deep Learning in Molecular Sciences. [PDF]

J Chem Inf Model
Wee J, Jiang J.
europepmc   +1 more source

Decoding Trap States in Working 2D Perovskite Multi‐Functional Devices

Advanced Science, EarlyView.
Illustration of the photoluminescence spectrum and energy‐level landscape governing trap‐mediated carrier dynamics in 2D F‐PEAI photodetectors. A novel approach capturing dynamic trap occupation and retrapping in devices under operating conditions, directly links defect energetics to carrier transport and enhanced photoresponse in multifunctional ...
Ioannis Leontis, Karl Jonas Riisnaes, Hoi Tung Lam, Rosanna Mastria, Luisa De Marco, Annalisa Coriolano, Steven Hepplestone, Monica Felicia Craciun, Saverio Russo   +8 more
wiley   +1 more source

Improved predictive formulae for wave overtopping at sloped breakwaters using interpretable machine learning models. [PDF]

PLoS One
Habib MA, Abolfathi S, O'Sullivan JJ, Salauddin M.   +3 more
europepmc   +1 more source

Nanozymes Integrated Biochips Toward Smart Detection System

Advanced Science, EarlyView.
This review systematically outlines the integration of nanozymes, biochips, and artificial intelligence (AI) for intelligent biosensing. It details how their convergence enhances signal amplification, enables portable detection, and improves data interpretation.
Dongyu Chen, Wang Zheng, Zhihui Zhang, Shenping Yu, Xinxin Hang, Han Wu, Xiao‐Wei Xiang, Wei Mu, Yanli Jiao, Zaizai Dong, Lingqian Chang   +10 more
wiley   +1 more source

Persistent Topological Laplacians-A Survey. [PDF]

Mathematics (Basel)
Wei X, Wei GW.
europepmc   +1 more source

Quantitative Stain Mapping in X‐Ray Virtual Histology

Advanced Science, EarlyView.
Virtual histology promises 3D tissue examination without physical sectioning, yet has lacked the tissue‐specificity of conventional pathology. This work demonstrates the first quantitative three‐dimensional stain mapping at histologically relevant resolution, separating contrast agent from tissue to reveal cellular features such as nuclei. The approach
Dominik John, David M. Paganin, Marie‐Christine Zdora, Lisa Marie Petzold, Patrick Ilg, Junan Chen, Sara Baggio, Johannes B. Thalhammer, Sami Wirtensohn, Julian Moosmann, Jörg U. Hammel, Felix Beckmann, Samantha J. Alloo, Jannis N. Ahlers, Madleen Busse, Julia Herzen, Kaye S. Morgan   +16 more
wiley   +1 more source