Work

Deep-learning-enhanced exploration of peptide conformational space with high fidelity using hydrogen bond information

Year: 2025

Type: article

Abstract: A neural network potential has been setup to explore the conformational landscape of a hexapeptide DYYVVR.

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/d5cp01632k

Authors: Gyeongok Song, Hyo Nam Jeon, Jer-Lai Kuo, Hyuk Kang

Institutions: Ajou University, Institute of Atomic and Molecular Sciences, Academia Sinica, Academia Sinica

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: hybrid

Funders: National Research Foundation, National Research Foundation of Korea, Ministry of Science and Technology, Taiwan, National Supercomputing Center, Korea Institute of Science and Technology Information

Awards: G315325541, G3615498223, G3638702923, G8107205583

OpenAlex ID: W4411291334

FWCI: 0.522

Cites: 33

Cited by: 2

Related to: 10