3 papers
q-bio.QM2023
Prediction of Protein Aggregation Propensity via Data-driven Approaches
Seungpyo Kang, Minseon Kim, Jiwon Sun +2
Protein aggregation occurs when misfolded or unfolded proteins physically bind together, and can promote the development of various amyloid diseases. This study aimed to construct…
q-bio.QM2023
AmorProt: Amino Acid Molecular Fingerprints Repurposing based Protein Fingerprint
Myeonghun Lee, Kyoungmin Min
As protein therapeutics play an important role in almost all medical fields, numerous studies have been conducted on proteins using artificial intelligence. Artificial intelligence…
cs.LG2022
MGCVAE: Multi-objective Inverse Design via Molecular Graph Conditional Variational Autoencoder
Myeonghun Lee, Kyoungmin Min
The ultimate goal of various fields is to directly generate molecules with desired properties, such as finding water-soluble molecules in drug development and finding molecules sui…