Zobrazeno 1 - 10
of 120
pro vyhledávání: '"Dmitri K Klimov"'
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
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)
Abstract The 21-residue PGLa peptide is well known for antimicrobial activity attributed to its ability to compromize bacterial membranes. Using all-atom explicit solvent replica exchange molecular dynamics with solute tempering, we studied PGLa bind
Externí odkaz:
https://doaj.org/article/9a5df6ae963b40da81ee9930b29d1f75
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:
Journal of Chemical Information and Modeling. 62:6228-6241
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b79478008f170a490517bd9ea2de940e
https://doi.org/10.1021/acs.jcim.2c01192
https://doi.org/10.1021/acs.jcim.2c01192
Publikováno v:
Biomolecules, Vol 11, Iss 10, p 1541 (2021)
Alzheimer’s disease, the most common form of dementia, currently has no cure. There are only temporary treatments that reduce symptoms and the progression of the disease. Alzheimer’s disease is characterized by the prevalence of plaques of aggreg
Externí odkaz:
https://doaj.org/article/f05b868da2164ae38a7b2950e837bb85
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:
PLoS Computational Biology, Vol 13, Iss 1, p e1005314 (2017)
By applying REMD simulations we have performed comparative analysis of the conformational ensembles of amino-truncated Aβ10-40 peptide produced with five force fields, which combine four protein parameterizations (CHARMM36, CHARMM22*, CHARMM22/cmap,
Externí odkaz:
https://doaj.org/article/22ab11fe2f13472085a08fb8be84cbe1
Publikováno v:
Journal of chemical information and modeling. 62(6)
PGLa belongs to a class of antimicrobial peptides showing strong affinity to anionic bacterial membranes. Using all-atom explicit solvent replica exchange molecular dynamics with solute tempering, we studied binding of PGLa to a model anionic dimyris
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b360678e8f3e2050859f85f34758849
https://pubmed.ncbi.nlm.nih.gov/35266698
https://pubmed.ncbi.nlm.nih.gov/35266698
Publikováno v:
Biomolecules
Volume 11
Issue 10
Biomolecules, Vol 11, Iss 1541, p 1541 (2021)
Volume 11
Issue 10
Biomolecules, Vol 11, Iss 1541, p 1541 (2021)
Alzheimer’s disease, the most common form of dementia, currently has no cure. There are only temporary treatments that reduce symptoms and the progression of the disease. Alzheimer’s disease is characterized by the prevalence of plaques of aggreg
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fd6c7699b6e865a194f8c5a2a23dcfb3