The prediction of protein conformation from its amino-acid sequence is one of the most prominent problems in computational biology. But it is NP-hard. Here, we focus on an abstraction widely studied of this problem, the two-dimensional hydrophobic-polar protein folding problem (2D HP PFP). Mathematical optimal model of free energy of protein is established. Native conformations are often sought using stochastic sampling methods, but which are slow. The elastic net (EN) algorithm is one of fast deterministic methods as travelling salesman problem (TSP) strategies. However, it cannot be applied directly to protein folding problem, because of fundamental differences in the two types of problems. In this paper, how the 2D HP protein folding problem can be framed in terms of TSP is shown. Combination of the modified elastic net algorithm and novel local search method is adopted to solve this problem. To our knowledge, this is the first application of EN algorithm to 2D HP model. The results indicate that our approach can find more optimal conformations and is simple to implement, computationally efficient and fast.
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http://dx.doi.org/10.1016/j.jbbm.2006.08.001 | DOI Listing |
Front Public Health
January 2025
Karolinska Institutet, Department of Medicine Solna, Division of Clinical Epidemiology, Stockholm, Sweden.
Background: Mexico has one of the highest global incidences of paediatric overweight and obesity. Public health interventions have shown only moderate success, possibly from relying on knowledge extracted using limited types of statistical data analysis methods.
Purpose: To explore if multimodal machine learning can enhance identifying predictive features from obesogenic environments and investigating complex disease or social patterns, using the Mexican National Health and Nutrition Survey.
Heliyon
January 2025
Cancer Research Center, Institute of Cancer, Avicenna Health Research Institute, Hamadan University of Medical Sciences, Hamadan, Iran.
Objective: The purpose of the current study was to develop and validate a biomarker-based prediction model for metastasis in patients with colorectal cancer (CRC).
Methods: Two datasets, GSE68468 and GSE41568, were retrieved from the Gene Expression Omnibus (GEO) database. In the GSE68468 dataset, key biomarkers were identified through a screening process involving differential expression analysis, redundancy analysis, and recursive feature elimination technique.
Alzheimers Res Ther
January 2025
Department of Neurology, Faculty of Medicine, Oita University, 1-1 Idaigaoka, Hasama-machi, Yufu, Oita, 879-5593, Japan.
Background: Intracerebral amyloid β (Aβ) accumulation is considered the initial observable event in the pathological process of Alzheimer's disease (AD). Efficient screening for amyloid pathology is critical for identifying patients for early treatment. This study developed machine learning models to classify positron emission tomography (PET) Aβ-positivity in participants with preclinical and prodromal AD using data accessible to primary care physicians.
View Article and Find Full Text PDFSci Total Environ
January 2025
Department of Epidemiology, School of Public Health, Sun Yat-sen University, Guangzhou 510080, Guangdong, China. Electronic address:
Air pollution has been associated with a higher incidence of idiopathic pulmonary fibrosis (IPF), yet this metabolic mechanism remains unclear. 185,865 participants were included in the UK Biobank. We estimated air pollution exposure using the bilinear interpolation approach, including fine particle matter with diameter < 2.
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