Our aim in CASP12 was to improve our Template-Based Modeling (TBM) methods through better model selection, accuracy self-estimate (ASE) scores and refinement. To meet this aim, we developed two new automated methods, which we used to score, rank, and improve upon the provided server models. Firstly, the ModFOLD6_rank method, for improved global Quality Assessment (QA), model ranking and the detection of local errors. Secondly, the ReFOLD method for fixing errors through iterative QA guided refinement. For our automated predictions we developed the IntFOLD4-TS protocol, which integrates the ModFOLD6_rank method for scoring the multiple-template models that were generated using a number of alternative sequence-structure alignments. Overall, our selection of top models and ASE scores using ModFOLD6_rank was an improvement on our previous approaches. In addition, it was worthwhile attempting to repair the detected errors in the top selected models using ReFOLD, which gave us an overall gain in performance. According to the assessors' formula, the IntFOLD4 server ranked 3rd/5th (average Z-score > 0.0/-2.0) on the server only targets, and our manual predictions (McGuffin group) ranked 1st/2nd (average Z-score > -2.0/0.0) compared to all other groups.
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http://dx.doi.org/10.1002/prot.25360 | DOI Listing |
JMIR Med Inform
November 2024
Department of Pharmacy, People's Hospital of Guilin, 12 Wenming Road, Guilin, 541000, China, 86 18978320258.
Background: Clinical named entity recognition (CNER) is a fundamental task in natural language processing used to extract named entities from electronic medical record texts. In recent years, with the continuous development of machine learning, deep learning models have replaced traditional machine learning and template-based methods, becoming widely applied in the CNER field. However, due to the complexity of clinical texts, the diversity and large quantity of named entity types, and the unclear boundaries between different entities, existing advanced methods rely to some extent on annotated databases and the scale of embedded dictionaries.
View Article and Find Full Text PDFSci Rep
November 2024
Applied BioSciences, Macquarie University, North Ryde, Sydney, NSW, 2109, Australia.
Insects rely on odorant receptors (ORs) to detect and respond to volatile environmental cues, so the ORs are attracting increasing interest as potential targets for pest control. However, experimental analysis of their structures and functions faces significant challenges. Computational methods such as template-based modeling (TBM) and AlphaFold3 (AF3) could facilitate the structural characterisation of ORs.
View Article and Find Full Text PDFEur Spine J
November 2024
Department of Computer Engineering and Software Engineering, Polytechnique Montreal, Montreal, Canada.
Purpose: Lumbar paraspinal intramuscular fat (IMF) has emerged as a biological factor in low back pain (LBP). Traditional assessments measure IMF across the entire muscle or at specific levels and may miss key information on the role of IMF in LBP. Despite known variations across the lumbar spine, the three-dimensional (3D) distribution of IMF has not been characterized across people.
View Article and Find Full Text PDFAnim Cogn
October 2024
Ministry of Education Key Laboratory for Ecology of Tropical Islands, Key Laboratory of Tropical Animal and Plant Ecology of Hainan Province, College of Life Sciences, Hainan Normal University, Haikou, 571158, China.
Egg rejection often involves a cognitive process of recognizing foreign eggs, which can vary not only between species or among different individuals of the same species, but also within the same individual during different breeding stages, leading to markedly different responses to parasitic eggs. We conducted a comparative study in Wuhan, Hubei, and Fusong, Jilin, China, on the recognition and rejection behavior of azure-winged magpies (Cyanopica cyanus) at different breeding stages (pre-egg-laying, one-host-egg, multi-host-egg and early incubation stages). In the Fusong population, there was a significant difference in the rejection rate of model eggs by azure-winged magpies at different stages of the egg-laying period.
View Article and Find Full Text PDFPLoS Comput Biol
October 2024
College of Life Sciences and Institute of Quantitative Biology, Zhejiang University, Hangzhou, Zhejiang, China.
As an emerging class of RNA molecules, circular RNAs play pivotal roles in various biological processes, thereby determining their three-dimensional (3D) structure is crucial for a deep understanding of their biological significances. Similar to linear RNAs, the development of computational methods for circular RNA 3D structure prediction is challenging, especially considering the inherent flexibility and potentially long length of circular RNAs. Here, we introduce an extension of our previous IsRNA2 model, named IsRNAcirc, to enable circular RNA 3D structure predictions through coarse-grained molecular dynamics simulations.
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