Journal Article 4 scoring functions DOCK 2 Ligands 2 Research Support, N.I.H., Extramural 2 Research Support, Non-U.S. Gov't 2 Research Support, U.S. Gov't, Non-P.H.S. 2 plus ... chemical space 2 de novo design 2 drug discovery 2 fragment libraries 2 structure-based design 2 2-deoxy-2,3-dehydro-N-acetylneuraminic acid 1 24967-27-9 1 DOCK6 1 GZP2782OP0 1 HIV Envelope Protein gp41 1 N-Acetylneuraminic Acid 1 Proteins 1 RRHO theory 1 ZINC 1 binding affinity 1 docking 1 drug design 1 ensemble-based evolution 1 entropy 1 footprint similarity 1 genetic algorithm 1 ligand similarity 1 machine learning 1 moins ...