دورية أكاديمية

Predicting locations of cryptic pockets from single protein structures using the PocketMiner graph neural network

التفاصيل البيبلوغرافية
العنوان: Predicting locations of cryptic pockets from single protein structures using the PocketMiner graph neural network
المؤلفون: Artur Meller, Michael Ward, Jonathan Borowsky, Meghana Kshirsagar, Jeffrey M. Lotthammer, Felipe Oviedo, Juan Lavista Ferres, Gregory R. Bowman
المصدر: Nature Communications, Vol 14, Iss 1, Pp 1-15 (2023)
بيانات النشر: Nature Portfolio, 2023.
سنة النشر: 2023
المجموعة: LCC:Science
مصطلحات موضوعية: Science
الوصف: Cryptic pockets enable targeting of proteins currently considered undruggable because they lack pockets in their ground state structures. Here, the authors develop a graph neural network that accurately predicts cryptic pockets in static structures by training using molecular simulation data alone.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2041-1723
Relation: https://doaj.org/toc/2041-1723
DOI: 10.1038/s41467-023-36699-3
URL الوصول: https://doaj.org/article/41a3c6430fd3496cb5e06f23a4ce9bc3
رقم الأكسشن: edsdoj.41a3c6430fd3496cb5e06f23a4ce9bc3
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:20411723
DOI:10.1038/s41467-023-36699-3