Investigation of the conformational dynamics of the apo A2Aadenosine receptor

Autor: Yi Wang, Sara E. Swift, Yinglong Miao, Alisha D. Caliman, J. Andrew McCammon

Publikováno v: Protein Science. 24:1004-1012

The activation/deactivation processes for G-protein coupled receptors (GPCRs) have been computationally studied for several different classes, including rhodopsin, the β2 adrenergic receptor, and the M2 muscarinic receptor. Despite determined cocrys

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d4478b191865679acf02e9c826dba705
https://doi.org/10.1002/pro.2681

Discovery of Novel Inhibitors of HIV-1 Reverse Transcriptase Through Virtual Screening of Experimental and Theoretical Ensembles

Autor: Stephen H. Hughes, Arturo Diaz, John A. T. Young, J. Andrew McCammon, John Naughton, Paul L. Boyer, Anthony Ivetac, Sara E. Swift

Publikováno v: Ivetac, A; Swift, SE; Boyer, PL; Diaz, A; Naughton, J; Young, JAT; et al.(2014). Discovery of Novel Inhibitors of HIV-1 Reverse Transcriptase Through Virtual Screening of Experimental and Theoretical Ensembles. CHEMICAL BIOLOGY & DRUG DESIGN, 83(5), 521-531. doi: 10.1111/cbdd.12277. UC San Diego: Retrieved from: http://www.escholarship.org/uc/item/5f29f7fs
Chemical biology & drug design, vol 83, iss 5

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are potent anti-HIV chemotherapeutics. Although there are FDA-approved NNRTIs, challenges such as the development of resistance have limited their utility. Here, we describe the identification

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d920fd729a65c4765061573f0df2e993
http://www.escholarship.org/uc/item/5f29f7fs