De Novo Prediction of Binders and Nonbinders for T4 Lysozyme by gREST Simulations
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b00416
Abstract: Molecular recognition underpins all specific protein-ligand interactions and is essential for biomolecular functions. Prediction of canonical binding poses and distinguishing binders from non-binders are much sought after goals. Here, we apply the generalized replica exchange… read more here.
Keywords: novo prediction; prediction binders; grest simulations; nonbinders lysozyme ... See more keywords
De novo Prediction of Moonlighting Proteins Using Multimodal Deep Ensemble Learning
Sign Up to like & getrecommendations! Published in 2021 at "Frontiers in Genetics"
DOI: 10.3389/fgene.2021.630379
Abstract: Moonlighting proteins (MPs) are a special type of protein with multiple independent functions. MPs play vital roles in cellular regulation, diseases, and biological pathways. At present, very few MPs have been discovered by biological experiments.… read more here.
Keywords: novo prediction; multimodal deep; deep ensemble; ensemble learning ... See more keywords