Leveraging AlphaFold2 structural space exploration for generating drug target structures in structure-based virtual screening
Keisuke Uchikawa, Kairi Furui, Masahito Ohue
The paper improves structure-based virtual screening by modifying AlphaFold2-predicted protein structures to better capture ligand-induced conformations, enhancing screening accuracy.
Biochemistry and Biophysics Reports · Jul 15, 2025Peer-reviewedBioinformatics