GPU-Accelerated Simulations of Nanoparticle Interactions in Biological Systems: A Computational Biology Approach Author

GPU-Accelerated Simulations of Nanoparticle Interactions in Biological Systems: A Computational Biology Approach Author | Authorea try { document.documentElement.classList.add('js'); } catch (e) { } var _gaq = _gaq || []; _gaq.push(['_setAccount', 'G-8VDV14Y67G']); _gaq.push(['_trackPageview']); (function() { var ga = document.createElement('script'); ga.type = 'text/javascript'; ga.async = true; ga.src = ('https:' == document.location.protocol ? 'https://ssl' : 'http://www') + '.google-analytics.com/ga.js'; var s = document.getElementsByTagName('script')[0]; s.parentNode.insertBefore(ga, s); })(); Skip to main content Preprints Collections Wiley Open Research IET Open Research Ecological Society of Japan All Collections About About Authorea FAQs Contact Us Quick Search anywhere Search for preprint articles, keywords, etc. Search Search ADVANCED SEARCH SCROLL This is a preprint and has not been peer reviewed. Data may be preliminary. 10 February 2025 V1 Latest version Share on GPU-Accelerated Simulations of Nanoparticle Interactions in Biological Systems: A Computational Biology Approach Author Authors : Billy Elly 0009-0006-1700-8377 [email protected] and Oladosu Goodness Authors Info & Affiliations https://doi.org/10.22541/au.173921691.16077061/v1 201 views 129 downloads Contents Abstract Supplementary Material Information & Authors Metrics & Citations View Options References Figures Tables Media Share Abstract The interactions between nanoparticles and biological systems hold significant promise for medical applications, but understanding these complex interactions remains a major challenge. This study presents a computational biology approach utilizing GPU-accelerated simulations to investigate nanoparticle interactions in biological systems. By leveraging graphics processing units (GPUs), we developed highly scalable and efficient molecular dynamics simulations to model nanoparticle-biomolecule interactions. Our results provide novel insights into the dynamics of nanoparticle-cell membrane interactions, proteinnanoparticle binding, and nanoparticle-mediated drug delivery. The GPU-accelerated simulations demonstrate significant performance enhancements (up to 10x) compared to traditional CPU-based methods. This work has important implications for optimizing nanoparticle design, predicting toxicity, and enhancing therapeutic efficacy. Our computational framework offers a valuable tool for researchers in nanomedicine, enabling rapid exploration of nanoparticle properties and behavior in biological environments. Supplementary Material File (gpu20.pdf) Download 253.77 KB Information & Authors Information Version history V1 Version 1 10 February 2025 Copyright This work is licensed under a Creative Commons Attribution 4.0 International License Keywords biological systems computational biology gpu acceleration molecular dynamics simulations nanomedicine nanoparticle interactions Authors Affiliations Billy Elly 0009-0006-1700-8377 [email protected] View all articles by this author Oladosu Goodness View all articles by this author Funding Information Semiconductor Research Corporation U.S. Department of Health and Human Services Metrics & Citations Metrics Article Usage 201 views 129 downloads .FvxKWukQNSOunydq8rnd { width: 100px; } Citations Download citation Billy Elly, Oladosu Goodness. GPU-Accelerated Simulations of Nanoparticle Interactions in Biological Systems: A Computational Biology Approach Author. Authorea . 10 February 2025. 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