Zobrazeno 1 - 10
of 27
pro vyhledávání: '"J. W. Brady"'
Publikováno v:
The Journal of Physical Chemistry A. 102:2749-2758
Molecular dynamics simulations were conducted of two hexasaccharide strands of β-carrageenan in aqueous (TIP3P) solution in the double-helical conformation proposed for ι-carrageenan from fiber diffraction experiments. A similar simulation was perf
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f3a12c4ec88b162a1e09aece41f327b
https://doi.org/10.1021/jp9723170
https://doi.org/10.1021/jp9723170
Autor:
J. W. Brady
Publikováno v:
Modern Methods for Multidimensional Dynamics Computations in Chemistry
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6420089310f85cbcbc49de1d5da07814
https://doi.org/10.1142/9789812812162_0011
https://doi.org/10.1142/9789812812162_0011
Autor:
K, Ueda, J W, Brady
Publikováno v:
Biopolymers. 38(4)
Molecular mechanics calculations have been performed for the disaccharide neocarrabiose, one of the repeat units of beta-carrageenan, as a general model for the (1--3)-linkage in the carrageenans. An adiabatic conformational energy map for this molec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::9142fd53f55cff76ee093e71fe08f9df
https://pubmed.ncbi.nlm.nih.gov/8867209
https://pubmed.ncbi.nlm.nih.gov/8867209
Publikováno v:
Protein engineering. 8(11)
Molecular mechanics calculations have been used to place a cellotetraose substrate into the active site of the crystallographically determined structure of endocellulase E2 from Thermomonospora fusca. In the lowest energy model structure, the second
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c48b50007572eceb2b219c30fc24ac0a
https://pubmed.ncbi.nlm.nih.gov/8819980
https://pubmed.ncbi.nlm.nih.gov/8819980
Publikováno v:
Journal of Physical Chemistry B; Oct2015, Vol. 119 Issue 42, p13294-13301, 8p
Autor:
J. W. Brady, S. N. Ha
Publikováno v:
Advances in Experimental Medicine and Biology ISBN: 9781489906663
Recently, several molecular dynamics simulations of the aqueous solvation of carbohydrates have been reported. These studies represent the first theoretical picture available of the microscopic character of sugar solutions, and may provide explanatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::07b5af27c9af604bd320c0d1c291ea70
https://doi.org/10.1007/978-1-4899-0664-9_41
https://doi.org/10.1007/978-1-4899-0664-9_41
Autor:
J W, Brady, S N, Ha
Publikováno v:
Advances in experimental medicine and biology. 302
Recently, several molecular dynamics simulations of the aqueous solvation of carbohydrates have been reported. These studies represent the first theoretical picture available of the microscopic character of sugar solutions, and may provide explanatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::6fc53ed33ed1a11fc0ba6672682f179a
https://pubmed.ncbi.nlm.nih.gov/1746361
https://pubmed.ncbi.nlm.nih.gov/1746361
Autor:
K. Tasaki, J. W. Brady
Publikováno v:
Proteins ISBN: 9789401090650
Proteins
Proteins
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1d17a5b22b7a6846dcc67eb02e9288b4
https://doi.org/10.1007/978-94-010-9063-6_56
https://doi.org/10.1007/978-94-010-9063-6_56
Publikováno v:
ACS Symposium Series ISBN: 9780841218055
Computer Modeling of Carbohydrate Molecules
Computer Modeling of Carbohydrate Molecules
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a07aa4e4cd1d4c28d5b2959a69637908
https://doi.org/10.1021/bk-1990-0430.ch016
https://doi.org/10.1021/bk-1990-0430.ch016