Zobrazeno 1 - 10 of 79 pro vyhledávání: '"J. T. Gerig"'
1
Simulations of nuclear spin relaxation in liquid acetonitrile
Autor: J. T. Gerig
Publikováno v: Molecular Simulation. 38:1085-1093
Molecular dynamics simulations at 298 and 273 K were carried out in order to explore the ability of calculations to predict NMR spin–lattice relaxation rates of the protons of liquid acetonitrile. The six-site model of Nikitin and Lyubartsev (J. Co
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fbab170faca32f5020bd0d398996e88d
https://doi.org/10.1080/08927022.2012.692474
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2
NMR Study of Interactions between Silk Model Peptide and Fluorinated Alcohols for Preparation of Regenerated Silk Fiber
Autor: Tetsuo Asakura, Yu Suzuki, J. T. Gerig
Publikováno v: Macromolecules. 43:2364-2370
The fluorinated organic solvents 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) and hexafluoroacetone trihydrate (HFA) have been successfully used to produce silk fibroin fibers with high strength. To understand the reasons for the difference in strength b
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::065c4c784cf8e6eb1f01cd020289acfd
https://doi.org/10.1021/ma902544c
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3
[Untitled]
Autor: Philip G. Williams, A.S. Culf, J. T. Gerig
Publikováno v: Journal of Biomolecular NMR. 10:293-299
Tritium NMR spectroscopy has been used to examine the complexformed by [4-3H]benzenesulfon-amide and human carbonicanhydrase I. The results show that in solution the inhibitor forms a 1:1complex with the enzyme. A 100-spin computational model of the
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::88b49874e3b5ed9422ee2a53bd6ea01e
https://doi.org/10.1023/a:1018358101811
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6
Probing protein structure and dynamics by tritium NMR
Autor: Philip G. Williams, J. T. Gerig, T. M. O'Connell
Publikováno v: Journal of Labelled Compounds and Radiopharmaceuticals. 33:371-380
Tritium nmr spectroscopy of specifically tritiated tosylchymotrypsin has been used to examine the properties of the tosyl group in this protein. The unavoidable presence of several tritiated isotopomers complicates analysis of experiments and extensi
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ffc34c82d0cda855b179e5911c06b91b
https://doi.org/10.1002/jlcr.2580330503
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8
The Hamiltonians of NMR. part I
Autor: William E. Palke, J. T. Gerig, Scott A. Smith
Publikováno v: Concepts in Magnetic Resonance. 4:107-144
Nuclear magnetic resonance spectroscopy has evolved in complexity to the extent that it is often useful to carry out computer simulations of experiments as a way to refine experimental conditions, to maximize usable information, or to interpret resul
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0416abd8cac7aa0969dcd92a127c4782
https://doi.org/10.1002/cmr.1820040202
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9
Structural effects of fluorine substitution in proteins
Autor: D. H. Gregory, J. T. Gerig
Publikováno v: Journal of Computational Chemistry. 12:180-185
The consequences of substitution of fluorine for the para hydrogen of a phenylalanine residue in ribonuclease-S were investigated by conformational energy calculations using the AMBER force field. Both the fluorine-containing protein and the correspo
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9667c4179646a3c66f218161e5307655
https://doi.org/10.1002/jcc.540120207
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