Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits

por Gobbi, Alberto, Giannetti, Anthony M, Chen, Huifen, Lee, Man-Ling
Publicado 2015

Identification of Macrocyclic Peptide Families from Combinatorial Libraries Containing Noncanonical Amino Acids Using Cheminformatics and Bioinformatics Inspired Clustering

por Lee, Man-Ling, Farag, Sherif, Del Cid, Joselyn S., Bashore, Charlene, Hallenbeck, Kenneth K., Gobbi, Alberto, Cunningham, Christian N.
Publicado 2023

chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery

por Lee, Man-Ling, Aliagas, Ignacio, Feng, Jianwen A., Gabriel, Thomas, O’Donnell, T. J., Sellers, Benjamin D., Wiswedel, Bernd, Gobbi, Alberto
Publicado 2017