Alchemical Free Energy Calculations to Investigate Protein–Protein Interactions: the Case of the CDC42/PAK1 Complex
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.2c00348
Abstract: Here, we show that alchemical free energy calculations can quantitatively compute the effect of mutations at the protein–protein interface. As a test case, we have used the protein complex formed by the small Rho-GTPase CDC42… read more here.
Keywords: pak1; alchemical free; energy calculations; free energy ... See more keywords
Indispensable role of STIL in the regulation of cancer cell motility through the lamellipodial accumulation of ARHGEF7–PAK1 complex
Sign Up to like & getrecommendations! Published in 2019 at "Oncogene"
DOI: 10.1038/s41388-019-1115-9
Abstract: Cell motility is a tightly regulated phenomenon that supports the accurate formation of organ structure during development and homeostasis, including wound healing and inflammation. Meanwhile, cancer cells exhibit dysregulated motility, which causes spreading and invasion.… read more here.
Keywords: pak1 complex; motility; cancer; arhgef7 pak1 ... See more keywords