Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery. - Hathaichanok Chuntakaruk; Kajjana Boonpalit; Jiramet Kinchagawat; Fahsai Nakarin; Tanatorn Khotavivattana; Chanat Aonbangkhen; Yasuteru Shigeta; Kowit Hengphasatporn; Sarana Nutanong; Thanyada Rungrotmongkol; Supot Hannongbua (J. Comput. Chem., 2024)

Pre-training strategy for antiviral drug screening with low-data graph neural network: A case study in HIV-1 K103N reverse transcriptase. - Kajjana Boonpalit; Hathaichanok Chuntakaruk; Jiramet Kinchagawat; Peter Wolschann; Supot Hannongbua; Thanyada Rungrotmongkol; Sarana Nutanong (J. Comput. Chem., 2025)