molecular fingerprints Chemistry, Pharmaceutical 2 Computational Chemistry 2 FDA approved drugs 2 MD simulations 2 MMPBSA 2 Machine Learning 2 Molecular Conformation 2 SARS-CoV-2 nsp16-nsp10 2′-o-methyltransferase 2 compound classification 2 conformation 2 machine learning 2 medicinal chemistry 2 molecular docking 2 similarity searching 2 structural features 2 structural similarity 2 Drug Design 1 ECFP 1 Humans 1 Ligands 1 Neural Networks, Computer 1 PLEC 1 Protein Binding 1 Protein-ligand binding affinity 1 Proteins 1 artificial neural network 1 drug design 1 human 1 ligand 1