Moving Beyond Active-Site Detection: MixMD Applied to Allosteric Systems

Por Ghanakota, Phani, Carlson, Heather A.
Publicado no J Phys Chem B (2016)

Driving Structure-Based Drug Discovery through Cosolvent Molecular Dynamics

Por Ghanakota, Phani, Carlson, Heather A.
Publicado no J Med Chem (2016)

Identifying Binding Hot Spots on Protein Surfaces by Mixed-Solvent MD: HIV-1 Protease as a Test Case

Por Ung, Peter M.-U., Ghanakota, Phani, Graham, Sarah E., Lexa, Katrina W., Carlson, Heather A.
Publicado no Biopolymers (2016)

Substrate-competitive activity-based profiling of ester prodrug activating enzymes

Por Xu, Hao, Majmudar, Jaimeen D., Davda, Dahvid, Ghanakota, Phani, Kim, Ki H., Carlson, Heather A., Showalter, Hollis D., Martin, Brent R., Amidon, Gordon L.
Publicado no Mol Pharm (2015)