Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Mayukh Kansari"'
Publikováno v:
Communications Chemistry, Vol 7, Iss 1, Pp 1-13 (2024)
Abstract Histidine kinases (HK) are one of the main prokaryotic signaling systems. Two structurally conserved catalytic domains inside the HK enable autokinase, phosphotransfer, and phosphatase activities. Here, we focus on a detailed mechanistic und
Externí odkaz:
https://doaj.org/article/0f8ce7285bc84937b7580e205689a34d
Autor:
Claudia L. Gómez-Flores, Denis Maag, Mayukh Kansari, Van-Quan Vuong, Stephan Irle, Frauke Gräter, Tomáš Kubař, Marcus Elstner
Publikováno v:
Journal of chemical theory and computation. 18(2)
Semiempirical methods like density functional tight-binding (DFTB) allow extensive phase space sampling, making it possible to generate free energy surfaces of complex reactions in condensed-phase environments. Such a high efficiency often comes at t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3cdc946ce9a9b5dbeea4041ae2185c6c
https://pubmed.ncbi.nlm.nih.gov/34978438
https://pubmed.ncbi.nlm.nih.gov/34978438
Publikováno v:
Biophysical Journal. 121:273a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1cb04e55c4137629c3e99603e832dd2a
https://doi.org/10.1016/j.bpj.2021.11.1372
https://doi.org/10.1016/j.bpj.2021.11.1372