Suchergebnisse - "Urbina, Fabio"

Dual use of artificial-intelligence-powered drug discovery von Urbina, Fabio, Lentzos, Filippa, Invernizzi, Cédric, Ekins, Sean

“… An international security conference explored how artificial intelligence (AI) technologies for drug discovery could be misused for de novo design of …”
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Spatiotemporal organization of exocytosis emerges during neuronal shape change von Urbina, Fabio L, Gomez, Shawn M, Gupton, Stephanie L

“… Neurite elongation and branching in developing neurons requires plasmalemma expansion, hypothesized to occur primarily via exocytosis. We posited that …”
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Vinculin and metavinculin exhibit distinct effects on focal adhesion properties, cell migration, and mechanotransduction von Lee, Hyunna T., Sharek, Lisa, O’Brien, E. Timothy, Urbina, Fabio L., Gupton, Stephanie L., Superfine, Richard, Burridge, Keith, Campbell, Sharon L.

“… Vinculin (Vcn) is a ubiquitously expressed cytoskeletal protein that links transmembrane receptors to actin filaments, and plays a key role in regulating cell …”
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SNARE-Mediated Exocytosis in Neuronal Development von Urbina, Fabio L., Gupton, Stephanie L.

“… The formation of the nervous system involves establishing complex networks of synaptic connections between proper partners. This developmental undertaking …”
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A pair of E3 ubiquitin ligases compete to regulate filopodial dynamics and axon guidance von Boyer, Nicholas P, McCormick, Laura E, Menon, Shalini, Urbina, Fabio L, Gupton, Stephanie L

“… Appropriate axon guidance is necessary to form accurate neuronal connections. Axon guidance cues that stimulate cytoskeletal reorganization within the growth …”
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The commoditization of AI for molecule design von Urbina, Fabio, Ekins, Sean

“… Anyone involved in designing or finding molecules in the life sciences over the past few years has witnessed a dramatic change in how we now work due to the …”
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UV-adVISor: Attention-Based Recurrent Neural Networks to Predict UV-Vis Spectra von Urbina, Fabio, Batra, Kushal, Luebke, Kevin J, White, Jason D, Matsiev, Daniel, Olson, Lori L, Malerich, Jeremiah P, Hupcey, Maggie A Z, Madrid, Peter B, Ekins, Sean

“… Ultraviolet-visible (UV-Vis) absorption spectra are routinely collected as part of high-performance liquid chromatography (HPLC) analysis systems and can be …”
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TRIM9-dependent ubiquitination of DCC constrains kinase signaling, exocytosis, and axon branching von Plooster, Melissa, Menon, Shalini, Winkle, Cortney C, Urbina, Fabio L, Monkiewicz, Caroline, Phend, Kristen D, Weinberg, Richard J, Gupton, Stephanie L

“… Extracellular netrin-1 and its receptor deleted in colorectal cancer (DCC) promote axon branching in developing cortical neurons. Netrin-dependent …”
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TRIM67 regulates exocytic mode and neuronal morphogenesis via SNAP47 von Urbina, Fabio L., Menon, Shalini, Goldfarb, Dennis, Edwards, Reginald, Ben Major, M., Brennwald, Patrick, Gupton, Stephanie L.

“… Neuronal morphogenesis involves dramatic plasma membrane expansion, fueled by soluble N-ethylmaleimide-sensitive factor attachment protein eceptors …”
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Comparing the Pfizer Central Nervous System Multiparameter Optimization Calculator and a BBB Machine Learning Model von Urbina, Fabio, Zorn, Kimberley M, Brunner, Daniela, Ekins, Sean

“… The ability to calculate whether small molecules will cross the blood-brain barrier (BBB) is an important task for companies working in neuroscience drug …”
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The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications von Snyder, Scott H., Vignaux, Patricia A., Ozalp, Mustafa Kemal, Gerlach, Jacob, Puhl, Ana C., Lane, Thomas R., Corbett, John, Urbina, Fabio, Ekins, Sean

“… Recent advances in machine learning (ML) have led to newer model architectures including transformers (large language models, LLMs) showing state of the art …”
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Coordinated Regulation of CB1 Cannabinoid Receptors and Anandamide Metabolism Stabilizes Network Activity during Homeostatic Downscaling von Ye, Michael, Monroe, Sarah K., Gay, Sean M., Armstrong, Michael L., Youngstrom, Diane E., Urbina, Fabio L., Gupton, Stephanie L., Reisdorph, Nichole, Diering, Graham H.

“… Neurons express overlapping homeostatic mechanisms to regulate synaptic function and network properties in response to perturbations of neuronal activity …”
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Using Bibliometric Analysis and Machine Learning to Identify Compounds Binding to Sialidase‑1 von Klein, Jennifer J, Baker, Nancy C, Foil, Daniel H, Zorn, Kimberley M, Urbina, Fabio, Puhl, Ana C, Ekins, Sean

“… Rare diseases impact hundreds of millions of individuals worldwide. However, few therapies exist to treat the rare disease population because financial …”
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Correction to “Using Bibliometric Analysis and Machine Learning to Identify Compounds Binding to Sialidase-1” von Klein, Jennifer J, Baker, Nancy C, Foil, Daniel H, Zorn, Kimberley M, Urbina, Fabio, Puhl, Ana C, Ekins, Sean

“… [This corrects the article DOI: 10.1021/acsomega.0c05591.].[This corrects the article DOI: 10.1021/acsomega.0c05591.] …”
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Recent advances in drug repurposing using machine learning von Urbina, Fabio, Puhl, Ana C., Ekins, Sean

“… Drug repurposing aims to find new uses for already existing and approved drugs. We now provide a brief overview of recent developments in drug repurposing …”
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AI in drug discovery: A wake-up call von Urbina, Fabio, Lentzos, Filippa, Invernizzi, Cédric, Ekins, Sean

“… Following a proof-of-concept presentation on dual-use artificial intelligence (AI) in drug discovery by Collaborations Pharmaceuticals Inc. to the Swiss …”
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Combining DELs and machine learning for toxicology prediction von Blay, Vincent, Li, Xiaoyu, Gerlach, Jacob, Urbina, Fabio, Ekins, Sean

“… •DELs could allow assessing properties besides binding to the intended target.•Machine learning applied to DEL data could enable quantitative …”
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M33 - Using MegaSyn Generative Machine Learning to Identify Psychoplastogens for Opioid Abuse Treatment von Harris, Joshua, Gerlach, Jacob, Urbina, Fabio, Ekins, Sean

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Using MegaSyn Generative Machine Learning to Identify Psychoplastogens for Opioid Abuse Treatment von Harris, Joshua, Gerlach, Jacob, Urbina, Fabio, Ekins, Sean

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Automated Detection and Analysis of Exocytosis von Urbina, Fabio, Gupton, Stephanie L.

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