Flooding Enzymes: Quantifying the Contributions of Interstitial Water and Cavity Shape to Ligand Binding Using Extended Linear Response Free Energy Calculations

por Whalen, Katie L., Spies, M. Ashley
Publicado 2013

Allosteric Tuning of Caspase‐7: A Fragment‐Based Drug Discovery Approach

por Vance, Nicholas R., Gakhar, Lokesh, Spies, M. Ashley
Publicado 2017

Contributions of the RAD51 N-terminal domain to BRCA2-RAD51 interaction

por Subramanyam, Shyamal, Jones, William T., Spies, Maria, Spies, M. Ashley
Publicado 2013

Biosynthesis of a Novel Glutamate Racemase Containing a Site-Specific 7-Hydroxycoumarin Amino Acid: Enzyme–Ligand Promiscuity Revealed at the Atomistic Level

por Dean, Sondra F., Whalen, Katie L., Spies, M. Ashley
Publicado 2015

Decrypting a cryptic allosteric pocket in H. pylori glutamate racemase

por Chheda, Pratik Rajesh, Cooling, Grant T., Dean, Sondra F., Propp, Jonah, Hobbs, Kathryn F., Spies, M. Ashley
Publicado 2021

Therapeutic disruption of RAD52–ssDNA complexation via novel drug-like inhibitors

por Bhat, Divya S, Malacaria, Eva, Biagi, Ludovica Di, Razzaghi, Mortezaali, Honda, Masayoshi, Hobbs, Kathryn F, Hengel, Sarah R, Pichierri, Pietro, Spies, M Ashley, Spies, Maria
Publicado 2023

Small-molecule inhibitors identify the RAD52-ssDNA interaction as critical for recovery from replication stress and for survival of BRCA2 deficient cells

por Hengel, Sarah R, Malacaria, Eva, Folly da Silva Constantino, Laura, Bain, Fletcher E, Diaz, Andrea, Koch, Brandon G, Yu, Liping, Wu, Meng, Pichierri, Pietro, Spies, M Ashley, Spies, Maria
Publicado 2016