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Akademický článek

COMA: efficient structure-constrained molecular generation using contractive and margin losses

Autor: Jonghwan Choi, Sangmin Seo, Sanghyun Park

Publikováno v: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-13 (2023)

Abstract Background Structure-constrained molecular generation is a promising approach to drug discovery. The goal of structure-constrained molecular generation is to produce a novel molecule that is similar to a given source molecule (e.g. hit molec

Externí odkaz: https://doaj.org/article/a703f3d57ffa4430983e383e618cd42f

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Akademický článek

The Effects of Exergaming on Attention in Children With Attention Deficit/Hyperactivity Disorder: Randomized Controlled Trial

Autor: HongQing Ji, Shanshan Wu, Junyeon Won, Shiyang Weng, Sujin Lee, Sangmin Seo, Jung-Jun Park

Publikováno v: JMIR Serious Games, Vol 11, p e40438 (2023)

BackgroundDespite growing evidence showing the effects of exercise and cognitive trainings on enhancing attention, little is known about the combined effects of exergame on attention in children with attention deficit/hyperactivity disorder (ADHD). E

Externí odkaz: https://doaj.org/article/64946e573f6841bb843c0e604f841e8b

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Akademický článek

Binding affinity prediction for protein–ligand complex using deep attention mechanism based on intermolecular interactions

Autor: Sangmin Seo, Jonghwan Choi, Sanghyun Park, Jaegyoon Ahn

Publikováno v: BMC Bioinformatics, Vol 22, Iss 1, Pp 1-15 (2021)

Abstract Background Accurate prediction of protein–ligand binding affinity is important for lowering the overall cost of drug discovery in structure-based drug design. For accurate predictions, many classical scoring functions and machine learning-

Externí odkaz: https://doaj.org/article/f44ada125ed946ff99bc493a2989110c

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Binding affinity prediction for protein–ligand complex using deep attention mechanism based on intermolecular interactions

Autor: Sanghyun Park, Sangmin Seo, Jaegyoon Ahn, Jonghwan Choi

Publikováno v: BMC Bioinformatics, Vol 22, Iss 1, Pp 1-15 (2021)
BMC Bioinformatics

Accurate prediction of protein-ligand binding affinity is important in that it can lower the overall cost of drug discovery in structure-based drug design. For more accurate prediction, many classical scoring functions and machine learning-based meth

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de789b28d29e6b7e31f19168bb2dd7bf
https://doaj.org/article/f44ada125ed946ff99bc493a2989110c

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