Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Dab Brill"'
Autor:
Noam Morningstar-Kywi, Kaichen Wang, Thomas R. Asbell, Zhaohui Wang, Jason B. Giles, Jiawei Lai, Dab Brill, Brian T. Sutch, Ian S. Haworth
Publikováno v:
Journal of Chemical Information and Modeling. 62:1489-1497
The retention and displacement of water molecules during formation of ligand-protein interfaces play a major role in determining ligand binding. Understanding these effects requires a method for positioning of water molecules in the bound and unbound
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::88305b0763d7ceded4d092f4c67a4443
https://doi.org/10.1021/acs.jcim.1c01266
https://doi.org/10.1021/acs.jcim.1c01266
Publikováno v:
Computer Physics Communications. 244:324-328
The dynamics of individual water molecules has a strong effect on the energetics of biochemical interactions, such as peptide–protein binding. Existing software are able to predict the location of water molecules at the interface between a macromol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2ab2f0932c326a47897049ee9c76ce67
https://doi.org/10.1016/j.cpc.2019.06.021
https://doi.org/10.1016/j.cpc.2019.06.021
Autor:
Jugal P. Dhandhukia, Dab Brill, Siti M. Janib, J. Andrew MacKay, Yi-An Lin, Pu Shi, Wan Wang, Suhaas Aluri, Santosh Peddi, Shuanglong Liu, Yaping Ju, Honggang Cui, Zhe Li
Recombinant protein-polymer scaffolds such as elastin-like polypeptides (ELPs) offer drug-delivery opportunities including biocompatibility, monodispersity, and multifunctionality. We recently reported that the fusion of FK-506 binding protein 12 (FK
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ebf0308f8a9f6195b6afe1b2f7ef8c3
https://europepmc.org/articles/PMC5779105/
https://europepmc.org/articles/PMC5779105/
