Výsledky vyhledávání

A new addition to the structural bioinformatics toolbox: 3D models of short bioactive peptides from multiple sequences using feedback restrained molecular dynamics (FRMD)

Autor: R E, Cachau, G, González-Sapienza, S K, Burt, O N, Ventura

Publikováno v: Cellular and molecular biology (Noisy-le-Grand, France). 49(6)

Modem molecular biology techniques allow the use of new approaches for the 3D mapping of 1D information. Molecular biology techniques are capable of producing large amounts of 1D information (sequences) from a number of different sources (phage displ

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::77afaff3f20ca9a67c44a75b531a2555
https://pubmed.ncbi.nlm.nih.gov/14656056

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Computational studies of the domain movement and the catalytic mechanism of thymidine phosphorylase

Autor: S W, Rick, Y G, Abashkin, R L, Hilderbrandt, S K, Burt

Publikováno v: Proteins. 37(2)

Thymidine phosphorylase (TP) is a dual substrate enzyme with two domains. Each domain binds a substrate. In the crystal structure of Escherichia coli TP, the two domains are arranged so that the two substrate binding sites are too far away for the tw

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::430c7a616de65b108860c7c4633bb13e
https://pubmed.ncbi.nlm.nih.gov/10584069

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On the hydration of monoatomic ions

Autor: A. A. Rashin, G. J. Tawa, I. A. Topol, S. K. Burt

Publikováno v: Simulation and theory of electrostatic interactions in solution.

It is shown that an understanding of some key biological processes such as the thermodynamics of enzyme-ligand binding or the selectivity of ion-channels is ultimately dependent on an understanding of the details of ion hydration. Therefore, a model

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5b5fb68babd5320c1d23dec89e4f1ff1
https://doi.org/10.1063/1.1301538

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Reaction path and free energy calculations of the transition between alternate conformations of HIV-1 protease

Autor: S W, Rick, J W, Erickson, S K, Burt

Publikováno v: Proteins. 32(1)

Two different structures of ligand-free HIV protease have been determined by X-ray crystallography. These structures differ in the position of two 12 residue, beta-hairpin regions (or "flaps") which cap the active site. The movements of the flaps mus

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::9bb1beb4c9c68bc94dfe32685689f9bd
https://pubmed.ncbi.nlm.nih.gov/9672038

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