Flexible protein-ligand docking by global energy optimization in internal coordinates.
Totrov M, Abagyan R.
Totrov M, et al. Among authors: abagyan r.
Proteins. 1997;Suppl 1:215-20. doi: 10.1002/(sici)1097-0134(1997)1+<215::aid-prot29>3.3.co;2-i.
Proteins. 1997.
PMID: 9485515
Eight protein-ligand complexes were simulated by using global optimization of a complex energy function, including solvation, surface tension, and side-chain entropy in the internal coordinate space of the flexible ligand and the receptor side chains [Abagyan, R.A., …
Eight protein-ligand complexes were simulated by using global optimization of a complex energy function, including solvation, surface tensio …