Zobrazeno 1 - 10
of 56
pro vyhledávání: '"Yu. E. Shapiro"'
Autor:
Andrej N. Novikov, Yu. E. Shapiro
Publikováno v:
The Journal of Physical Chemistry A. 116:546-559
(Thia)calix[n]arenes have been widely applied as molecular platforms and host molecules in supramolecular chemistry due to their high level of preorganization and well-detectable conformational preferences. Here we report on quantum-chemical calculat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6295e220084fe33e0159e71161f7cd76
https://doi.org/10.1021/jp207815k
https://doi.org/10.1021/jp207815k
Autor:
Yu. E. Shapiro
Publikováno v:
Progress in Polymer Science. 36:1184-1253
Hydrogels and organogels are semi-solid systems, in which a liquid phase is immobilized by a three-dimensional network composed of self-assembled, intertwined polymer/gelator fibers. Investigations pertaining to these systems have only picked up spee
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::04b2cf76db8cecff608a154d3bbf6faf
https://doi.org/10.1016/j.progpolymsci.2011.04.002
https://doi.org/10.1016/j.progpolymsci.2011.04.002
Publikováno v:
The Journal of Physical Chemistry B. 115:354-365
We developed the slowly relaxing local structure (SRLS) approach for analyzing NMR spin relaxation in proteins. SRLS accounts for dynamical coupling between the tumbling of the protein and the local motion of the probe and for general tensorial prope
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e358d0c4e5dcf3fba58ea7f79125d7fd
https://doi.org/10.1021/jp107130m
https://doi.org/10.1021/jp107130m
Autor:
Yu. E. Shapiro, A. N. Novikov
Publikováno v:
Journal of Structural Chemistry. 51:1024-1033
RHF/3-21G and B3LYP/3-21G methods are used to calculate the hydrogen bond energies in calix[4]-, calix[6]-, p-fluorocalix[4]-, p-fluorocalix[6]-, p-chlorocalix[4]-, p-chlorocalix[6]-, p-bromocalix[4]-, pbromocalix[6]-, p-iodocalix[4]-, p-iodocalix[6]
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dce38a43c59638655075a7474019b16b
https://doi.org/10.1007/s10947-010-0159-z
https://doi.org/10.1007/s10947-010-0159-z
Autor:
Yu. E. Shapiro, Eva Meirovitch
Publikováno v:
The Journal of Physical Chemistry B. 113:7003-7011
The rotational diffusion of proteins is an important hydrodynamic property. Compact protein structures were found previously to exhibit hydration layer viscosity, etaloc, higher than the viscosity of bulk water, eta. This implies an apparent activati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4c00e2daf7df193a9c750bca1b8724cd
https://doi.org/10.1021/jp9009806
https://doi.org/10.1021/jp9009806
Autor:
T. I. Korotenko, Vitaly Ya. Gorbatyuk, Yu. E. Shapiro, Sergei A. Andronati, Mazurov Anatoly A
Publikováno v:
International Journal of Peptide and Protein Research. 42:14-19
Formation of by-products pyroglutamylglutamine diketopiperazine (5a) or pyroglutamylasparagine diketopiperazine (5b) were observed during the condensation of pyroglutamic acid active ester with C-protected glutaminyl(or asparaginyl)-proline derivativ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b1b7c8154c65fb54f596d639afdcc36
https://doi.org/10.1111/j.1399-3011.1993.tb00343.x
https://doi.org/10.1111/j.1399-3011.1993.tb00343.x
Publikováno v:
The Journal of Physical Chemistry B. 107:9898-9904
The common approach to N−H motion in proteins is model-free (MF), where the global (RC) and local (RL) motions are assumed decoupled. We have recently applied to N−H bond dynamics the slowly relaxing local structure (SRLS) model, which accounts r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e57d29a311b808f27ee468816d35f1b
https://doi.org/10.1021/jp030502+
https://doi.org/10.1021/jp030502+
Publikováno v:
The Journal of Physical Chemistry B. 107:9883-9897
15N CSA−15N-1H dipolar cross-correlation (ηxy) in proteins has been treated thus far with the model-free (MF) approach, where the global (RC) and local (RL) motions are assumed to be decoupled as a consequence of RL ≫ RC. In the context of ηxy,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::07e6abbb72643ae8148364ae3d491014
https://doi.org/10.1021/jp030501h
https://doi.org/10.1021/jp030501h
Autor:
Zhichun Liang, Eva Meirovitch, Edith Kahana, Jack H. Freed,§ and, Yu. E. Shapiro, Vitali Tugarinov
Publikováno v:
Biochemistry. 41:6271-6281
Adenylate kinase from Escherichia coli (AKeco), consisting of a 23.6-kDa polypeptide chain folded into domains CORE, AMPbd, and LID catalyzes the reaction AMP + ATP--2ADP. The domains AMPbd and LID execute large-amplitude movements during catalysis.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a54310d173ccb87bb8be22ac9b6d62bb
https://doi.org/10.1021/bi012132q
https://doi.org/10.1021/bi012132q
Publikováno v:
Journal of Molecular Biology. 315:155-170
Adenylate kinase from Escherichia coli (AKeco), consisting of a single 23.6 kDa polypeptide chain folded into domains CORE, AMPbd and LID, catalyzes the reaction AMP+ATP→2ADP. In the ligand-free enzyme the domains AMPbd and LID execute large-amplit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5d1bc9912471fe439a98e7c78e01087c
https://doi.org/10.1006/jmbi.2001.5231
https://doi.org/10.1006/jmbi.2001.5231