Testing the Substrate-Envelope Hypothesis with Designed Pairs of Compounds

por Shen, Yang, Altman, Michael D., Ali, Akbar, Nalam, Madhavi N. L., Cao, Hong, Rana, Tariq M., Schiffer, Celia A., Tidor, Bruce
Publicado 2013

Efficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble Enumeration

por Silver, Nathaniel W., King, Bracken M., Nalam, Madhavi N. L., Cao, Hong, Ali, Akbar, Kiran Kumar Reddy, G. S., Rana, Tariq M., Schiffer, Celia A., Tidor, Bruce
Publicado 2013

Drug Resistance Conferred by Mutations Outside the Active Site through Alterations in the Dynamic and Structural Ensemble of HIV-1 Protease

por Ragland, Debra A., Nalivaika, Ellen A., Nalam, Madhavi N. L., Prachanronarong, Kristina L., Cao, Hong, Bandaranayake, Rajintha M., Cai, Yufeng, Kurt-Yilmaz, Nese, Schiffer, Celia A.
Publicado 2014

Molecular Basis for Drug Resistance in HIV-1 Protease

por Ali, Akbar, Bandaranayake, Rajintha M., Cai, Yufeng, King, Nancy M., Kolli, Madhavi, Mittal, Seema, Murzycki, Jennifer F., Nalam, Madhavi N.L., Nalivaika, Ellen A., Özen, Ayşegül, Prabu-Jeyabalan, Moses M., Thayer, Kelly, Schiffer, Celia A.
Publicado 2010