SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein–ligand binding affinity predictions in minutes
| Title: | SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein–ligand binding affinity predictions in minutes |
|---|---|
| Authors: | Pecina, AdamAff1; Fanfrlík, JindřichAff1; Lepšík, MartinAff1; Řezáč, JanAff1, IDs41467024454318_cor4 |
| Source: | Nature Communications. 15(1) |
| Database: | Springer Nature Journals |