Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Bryan M Delfing"'
Autor:
Bryan M. Delfing, Xavier E. Laracuente, Xingyu Luo, Audrey Olson, William Jeffries, Kenneth W. Foreman, Mikell Paige, Kylene Kehn-Hall, Christopher Lockhart, Dmitri K. Klimov
Publikováno v:
ACS Omega, Vol 9, Iss 38, Pp 40259-40268 (2024)
Externí odkaz:
https://doaj.org/article/fa808101ebc248e1b00e2437d38b4502
Autor:
Bryan M. Delfing, Audrey Olson, Xavier E. Laracuente, Kenneth W. Foreman, Mikell Paige, Kylene Kehn-Hall, Christopher Lockhart, Dmitri K. Klimov
Publikováno v:
The Journal of Physical Chemistry B. 127:3175-3186
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::74b3b6e1c32d42c54fb17d4e24c024b4
https://doi.org/10.1021/acs.jpcb.3c00429
https://doi.org/10.1021/acs.jpcb.3c00429
Autor:
Elias Khayat, Bryan M. Delfing, Xavier Laracuente, Audrey Olson, Christopher Lockhart, Dmitri K. Klimov
Publikováno v:
ACS Chemical Neuroscience. 14:494-505
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc94a1cdd9187a2ff7f5ba1f955ce3f2
https://doi.org/10.1021/acschemneuro.2c00722
https://doi.org/10.1021/acschemneuro.2c00722
Publikováno v:
ACS Chemical Neuroscience. 12:3225-3236
Using all-atom explicit solvent replica exchange molecular dynamics simulations, we studied the aggregation of oxidized (ox) Aβ25-35 peptides into dimers mediated by the zwitterionic dimyristoylphosphatidylcholine (DMPC) lipid bilayer. By comparing
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::69b7812377b35ed04cc770e7d0a58fd1
https://doi.org/10.1021/acschemneuro.1c00407
https://doi.org/10.1021/acschemneuro.1c00407
Publikováno v:
The journal of physical chemistry. B. 125(10)
We used all-atom replica-exchange umbrella sampling molecular dynamics simulations to investigate the partitioning of the charged tetrapeptide KLVF and its neutral apolar counterpart VVIA into the blood-brain barrier (BBB)-mimetic bilayer. Our findin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5f0c6abf246511fb2c3267fecd29fa47
https://pubmed.ncbi.nlm.nih.gov/33656350
https://pubmed.ncbi.nlm.nih.gov/33656350
Publikováno v:
Journal of chemical information and modeling. 60(8)
Using an all-atom explicit water model and replica exchange umbrella sampling simulations, we investigated the molecular mechanisms of benzoic acid partitioning into two model lipid bilayers. The first was formed of 1,2-dimyristoyl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::7b43f8252344d42c763ee92d1b1367e4
https://pubmed.ncbi.nlm.nih.gov/32672960
https://pubmed.ncbi.nlm.nih.gov/32672960