Zobrazeno 1 - 6
of 6
pro vyhledávání: '"John W. Whittaker"'
Autor:
Jinglin Fu, Luca Larini, Anthony J Cooper, John W Whittaker, Azka Ahmed, Junhao Dong, Minyoung Lee, Ting Zhang
Publikováno v:
PLoS ONE, Vol 12, Iss 8, p e0182847 (2017)
The metabolism of living systems involves many enzymes that play key roles as catalysts and are essential to biological function. Searching ligands with the ability to modulate enzyme activities is central to diagnosis and therapeutics. Peptides repr
Externí odkaz:
https://doaj.org/article/4938084352824cf394321f720ba340fb
Publikováno v:
The Journal of Physical Chemistry B. 121:2095-2103
The microtubule-associated protein tau regulates the stability of microtubules within neurons in the central nervous system. In turn, microtubules are responsible for the remodeling of the cytoskeleton that ultimately leads to the formation or prunin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1f5ba6e206de3e4eba63db46b1f9ca0b
https://doi.org/10.1021/acs.jpcb.7b00194
https://doi.org/10.1021/acs.jpcb.7b00194
Autor:
John W. Whittaker, Luigi Delle Site
Publikováno v:
Physical Review Research. 1
The authors apply an open system Molecular Dynamics technique to define the hydration shell of a biological membrane. Their results show that the mandatory hydration extends well beyond distances predicted by previously used criteria based on the rad
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8ae8d1bc0471f2b86bac75874d0c6404
https://doi.org/10.1103/physrevresearch.1.033099
https://doi.org/10.1103/physrevresearch.1.033099
Autor:
Luigi Delle Site, Animesh Agarwal, Rupert Klein, John W. Whittaker, Felix Höfling, Christian Krekeler
Publikováno v:
Advanced Theory and Simulations
The simulation of open molecular systems requires explicit or implicit reservoirs of energy and particles. Whereas full atomistic resolution is desired in the region of interest, there is some freedom in the implementation of the reservoirs. Here, we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9bf848b7bd9bc360b8f77c72453c577f
https://refubium.fu-berlin.de/handle/fub188/25000
https://refubium.fu-berlin.de/handle/fub188/25000
Autor:
David E. Verrill, Amnah Hadadi, Luca Larini, John W. Whittaker, Xiao Hu, David Salas-de la Cruz
Publikováno v:
Biomacromolecules. 19(10)
In recent years, biomaterials from abundant and renewable sources have shown potential in medicine and materials science alike. In this study, we combine theoretical modeling, molecular dynamics simulations, and several experimental techniques to und
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::caafbe68f9830483a3ef6c99608d27f9
https://pubmed.ncbi.nlm.nih.gov/30130389
https://pubmed.ncbi.nlm.nih.gov/30130389
Autor:
Azka Ahmed, Junhao Dong, Jinglin Fu, Anthony Cooper, Ting Zhang, Minyoung Lee, John W. Whittaker, Luca Larini
Publikováno v:
PLoS ONE
PLoS ONE, Vol 12, Iss 8, p e0182847 (2017)
PLoS ONE, Vol 12, Iss 8, p e0182847 (2017)
The metabolism of living systems involves many enzymes that play key roles as catalysts and are essential to biological function. Searching ligands with the ability to modulate enzyme activities is central to diagnosis and therapeutics. Peptides repr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d231789c3e6b3a0ca3f71b70414c454
https://doi.org/10.1371/journal.pone.0182847
https://doi.org/10.1371/journal.pone.0182847