Zobrazeno 1 - 10
of 18
pro vyhledávání: '"B Lachele, Foley"'
Publikováno v:
Glycobiology
We have carried out a comparative study of the conformational impact of modifications to threonine residues of either α-O-Man or α-O-GalNAc in the context of a sequence from the mucin-like region of α-dystroglycan. Both such modifications can coex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a00b96aaed493fef7cb08518d68fe87
https://doi.org/10.1093/glycob/cwaa112
https://doi.org/10.1093/glycob/cwaa112
Autor:
B. Lachele Foley, David A. Case, Jeffery W. Kelly, Che-Hsiung Hsu, Evan T. Powers, Sangho Park, Chi-Huey Wong, David E. Mortenson, H. Jane Dyson, Xiaocong Wang, Robert J. Woods
Publikováno v:
Journal of the American Chemical Society. 138:7636-7648
Interactions between proteins and carbohydrates are ubiquitous in biology. Therefore, understanding the factors that determine their affinity and selectivity are correspondingly important. Herein, we have determined the relative strengths of intramol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d868b294119734259b7ed8b5ae34ac5
https://doi.org/10.1021/jacs.6b02879
https://doi.org/10.1021/jacs.6b02879
Autor:
B. Lachele Foley, Robert J. Woods, Daniel Wentworth, David W. Montgomery, Jasmine Young, Oliver C. Grant
Publikováno v:
The FASEB Journal. 34:1-1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e9d509c9a75c5f6b3c4367119b58fbd5
https://doi.org/10.1096/fasebj.2020.34.s1.09703
https://doi.org/10.1096/fasebj.2020.34.s1.09703
Publikováno v:
Encyclopedia of Computational Chemistry
Carbohydrates present a special set of challenges to the generation of force fields. First, the tertiary structures of monosaccharides are complex merely by virtue of their exceptionally high number of chiral centers. In addition, their electronic ch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d42ca630b647c7e803c63a6fa4a910be
https://doi.org/10.1002/wcms.89
https://doi.org/10.1002/wcms.89
Publikováno v:
Journal of the American Chemical Society. 130:16933-16942
Ordered water molecules bound to protein surfaces, or in protein-ligand interfaces, are frequently observed by crystallography. The investigation of the impact of such conserved water molecules on protein stability and ligand affinity requires detail
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f269a6a739f9e1e72e220646e157e46
https://doi.org/10.1021/ja8039663
https://doi.org/10.1021/ja8039663
Autor:
Marshall Bern, Joshua S. Sharp, Ron Orlando, Olga Charvátová, B. Lachele Foley, Robert J. Woods
Publikováno v:
Journal of the American Society for Mass Spectrometry. 19:1692-1705
Biomolecular surface mapping methods offer an important alternative method for characterizing protein–protein and protein–ligand interactions in cases in which it is not possible to determine high-resolution three-dimensional (3D) structures of c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2aa55ffcd0fbfd50d356ae3fa879cbf4
https://doi.org/10.1016/j.jasms.2008.07.013
https://doi.org/10.1016/j.jasms.2008.07.013
Publikováno v:
The Journal of Physical Chemistry A. 112:2634-2639
The rotational isomeric states (RIS) of glycerol at infinite dilution have been characterized in the aqueous phase via a 1 micros conventional molecular dynamics (MD) simulation, a 40 ns enhanced sampling replica exchange molecular dynamics (REMD) si
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d7fd06507c05ef61db15af160874295
https://doi.org/10.1021/jp710544s
https://doi.org/10.1021/jp710544s
Autor:
Jorge Gonzalez-Outeiriño, Sarah M. Tschampel, B. Lachele Foley, Karl N. Kirschner, Robert J. Woods, Austin B. Yongye, Charlisa R. Daniels
Publikováno v:
Journal of Computational Chemistry. 29:622-655
A new derivation of the GLYCAM06 force field, which removes its previous specificity for carbohydrates, and its dependency on the AMBER force field and parameters, is presented. All pertinent force field terms have been explicitly specified and so no
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c2da49a6c1047155b3777805ba3326ef
https://doi.org/10.1002/jcc.20820
https://doi.org/10.1002/jcc.20820
Publikováno v:
Wiley interdisciplinary reviews. Computational molecular science. 2(4)
Carbohydrates present a special set of challenges to the generation of force fields. First, the tertiary structures of monosaccharides are complex merely by virtue of their exceptionally high number of chiral centers. In addition, their electronic ch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::ce937604ed7b60aa89beaf021ccf3f1a
https://pubmed.ncbi.nlm.nih.gov/25530813
https://pubmed.ncbi.nlm.nih.gov/25530813