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As more powerful high performance computing resources are becoming available, there is a new opportunity to bring the unique capabilities of molecular dynamics (MD) simulations to cell-scale systems. Membranes are ubiquitous within cells and are responsible for a diverse set of essential biological functions, but building atomistic models of cell-scale membranes for MD simulations is immensely challenging because of their vast sizes, complex geometries, and complex compositions. To meet this challenge, we have developed xMAS Builder (E perimentally-Derived embranes of rbitrary hape Builder), which is designed to take experimental lipidomics and structural (e.
View Article and Find Full Text PDFArtificial Intelligence (AI) Competency and Educational Needs: Results of an AI Survey of Members of the European Society of Pediatric Endoscopic Surgeons (ESPES).
Children (Basel)
December 2024
Department of Pediatric and Adolescent Surgery, Medical University of Graz, 8036 Graz, Austria.
: Advancements in artificial intelligence (AI) and machine learning (ML) are set to revolutionize healthcare, particularly in fields like endoscopic surgery that heavily rely on digital imaging. However, to effectively integrate these technologies and drive future innovations, pediatric surgeons need specialized AI/ML skills. This survey evaluated the current level of readiness and educational needs regarding AI/ML among members of the European Society of Pediatric Endoscopic Surgeons (ESPES).
View Article and Find Full Text PDFA Set of Three Gd Spin Labels with Methanethiosulfonyl Groups for Bioconjugation Covering a Wide Range of EPR Line Widths.
J Org Chem
January 2025
Faculty of Chemistry and Center for Molecular Materials (CM2), Bielefeld University, Universitätsstraße 25, Bielefeld 33615, Germany.
Spin labels based on Gd complexes are important tools for the elucidation of the structure, dynamics and interaction of biomolecules by electron paramagnetic resonance (EPR) spectroscopy. Their EPR spectroscopic properties line width and relaxation times influence their performance in a particular application. To be able to apply a complex well-suited for a specific application, a set of Gd complexes with different EPR spectroscopic properties ready-made for spin labeling will be highly useful.
View Article and Find Full Text PDF─ A User-Friendly Command-Line Tool Simplifying Differential Expression Analysis in Quantitative Proteomics.
J Proteome Res
January 2025
Functional Genomics Center Zurich (FGCZ) - University of Zurich/ETH Zurich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland.
Mass spectrometry is a cornerstone of quantitative proteomics, enabling relative protein quantification and differential expression analysis () of proteins. As experiments grow in complexity, involving more samples, groups, and identified proteins, interactive differential expression analysis tools become impractical. The addresses this challenge by providing a command-line interface that simplifies , making it accessible to nonprogrammers and seamlessly integrating it into workflow management systems.
View Article and Find Full Text PDFHarmonizing excellence: Crafting the nexus of competencies, standards, and degree demands in nurse practitioner education.
Nurs Outlook
January 2025
College of Health and Human Services, Department of Nursing, University of New Hampshire, Durham, NH.
Nurse practitioner (NP) programs have a long history of producing safe and competent NPs; however, bold, transformative leadership is needed to set a minimum standard for quality NP education to support a 21st-century healthcare system. This paper is a call to action for leaders in NP education to transition NP education to the DNP degree utilizing the 2022 National Task Force Standards for Quality NP Education and a competency-based approach as defined in the 2021 AACN Essentials. There is now an opportunity to redesign healthcare systems with quality and equity as a primary consideration and DNP-prepared NPs are positioned to lead this redesign.
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