Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Jordan W. Thomas"'
Publikováno v:
The Journal of Chemical Physics. 120:2169-2181
The ab initio molecular-dynamics formalism of Car and Parrinello is extended to preserve the locality of the orbitals. The supplementary term in the Lagrangian does not affect the nuclear dynamics, but ensures "on the fly" localization of the electro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c3ebc78eba212d2dbacfcb0f77890797
https://doi.org/10.1063/1.1636697
https://doi.org/10.1063/1.1636697
Autor:
Jordan W. Thomas, Pi-Chen Hsu, Mary R. Hodel, Curt H. Hagedorn, Alec E. Hodel, Laura J. Taylor
Publikováno v:
Biochemistry. 39:13730-13736
7-Methylguanosine (m(7)G), also known as the mRNA "cap", is used as a molecular tag in eukaryotic cells to mark the 5' end of messenger RNAs. The mRNA cap is required for several key events in gene expression in which the m(7)G moiety is specifically
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7df8c5c41a0119c30330442daf9aa5e2
https://doi.org/10.1021/bi000623p
https://doi.org/10.1021/bi000623p
Publikováno v:
Physical Review B. 69
Techniques from gauge-field theory are employed to derive an alternative formulation of the Car-Parrinello ab initio molecular-dynamics method that allows maximally localized Wannier orbitals to be generated dynamically as the calculation proceeds. I
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::753a3f7d4dd0fd7278c6e553414b917c
https://doi.org/10.1103/physrevb.69.125105
https://doi.org/10.1103/physrevb.69.125105