Multiple automatic base selection: Protein-ligand docking based on incremental construction without manual intervention

Rarey, M.M.RareyKramer, B.B.KramerLengauer, T.T.Lengauer2022-03-032022-03-031997https://publica.fraunhofer.de/handle/publica/19186410.1023/A:10079130261662-s2.0-0031181870en003005006518542Multiple automatic base selection: Protein-ligand docking based on incremental construction without manual interventionjournal article