DOCK 3 Journal Article 3 Ligands 3 chemical space 3 de novo design 3 drug discovery 3 fragment libraries mehr ... DOCK6 2 Research Support, N.I.H., Extramural 2 scoring functions 2 structure-based design 2 2-deoxy-2,3-dehydro-N-acetylneuraminic acid 1 24967-27-9 1 GZP2782OP0 1 HIV Envelope Protein gp41 1 N-Acetylneuraminic Acid 1 Organic Chemicals 1 Proteins 1 Research Support, Non-U.S. Gov't 1 Research Support, U.S. Gov't, Non-P.H.S. 1 Small Molecule Libraries 1 ZINC 1 biasing 1 ensemble-based evolution 1 footprint similarity 1 genetic algorithm 1 ligand similarity 1 molecular evolution 1 selection methods 1 structure‐based design 1 weniger ...