Biomolecular simulation based machine learning models accurately predict sites of tolerability to the unnatural amino acid acridonylalanine

por Giannakoulias, Sam, Shringari, Sumant R., Ferrie, John J., Petersson, E. James
Publicado 2021

Computational Chemistry for the Identification of Lead Compounds for Radiotracer Development

por Hsieh, Chia-Ju, Giannakoulias, Sam, Petersson, E. James, Mach, Robert H.
Publicado 2023

Rational design of thioamide peptides as selective inhibitors of cysteine protease cathepsin L

por Phan, Hoang Anh T., Giannakoulias, Sam G., Barrett, Taylor M., Liu, Chunxiao, Petersson, E. James
Publicado 2021

Synergistic mutations in soluble guanylyl cyclase (sGC) reveal a key role for interfacial regions in the sGC activation mechanism

por Childers, Kenneth C., Yao, Xin-Qiu, Giannakoulias, Sam, Amason, Joshua, Hamelberg, Donald, Garcin, Elsa D.
Publicado 2019

Structural impact of thioamide incorporation into a β-hairpin

por Fiore, Kristen E., Patist, Martijn J., Giannakoulias, Sam, Huang, Cheng-Hsin, Verma, Hitesh, Khatri, Bhavesh, Cheng, Richard P., Chatterjee, Jayanta, Petersson, E. James
Publicado 2022

Identification of a nanomolar affinity α-synuclein fibril imaging probe by ultra-high throughput in silico screening

por Ferrie, John J., Lengyel-Zhand, Zsofia, Janssen, Bieneke, Lougee, Marshall G., Giannakoulias, Sam, Hsieh, Chia-Ju, Pagar, Vinayak Vishnu, Weng, Chi-Chang, Xu, Hong, Graham, Thomas J. A., Lee, Virginia M.-Y., Mach, Robert H., Petersson, E. James
Publicado 2020