Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Edward Z. Wen"'
Publikováno v:
Journal of Molecular Graphics and Modelling. 22:415-424
We have investigated the sampling efficiency in molecular dynamics with the PB implicit solvent when self-guiding forces are added. Compared with a high-temperature dynamics simulation, the use of self-guiding forces in room-temperature dynamics is f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::13e2ebc1e5645998f9c387b54a734dc6
https://doi.org/10.1016/j.jmgm.2003.12.008
https://doi.org/10.1016/j.jmgm.2003.12.008
Autor:
Hideaki Shimizu, Mack Flinspach, Joumana Jamal, Ming Xian, Tingwei Cai, Peng George Wang, Qiang Jia, Edward Z. Wen, Huiying Li, Thomas L. Poulos, Weiping Yang
Publikováno v:
Biochemistry. 41:13868-13875
A series of N-alkyl-N'-hydroxyguanidine compounds have recently been characterized as non-amino acid substrates for all three nitric oxide synthase (NOS) isoforms which mimic NO formation from N(omega)-hydroxy-L-arginine. Crystal structures of the nN
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a6b155308930975e10d0fa24cd244086
https://doi.org/10.1021/bi020417c
https://doi.org/10.1021/bi020417c
Autor:
Edward Z. Wen, Ray Luo
Publikováno v:
The Journal of chemical physics. 121(5)
The denatured state of a miniprotein BBA1 is studied under the native condition with the AMBER/Poisson-Boltzmann energy model and with the self-guided enhanced sampling technique. Forty independent trajectories are collected to sample the highly dive
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8cca1db674adb4fc55cb2321b560f5a9
https://pubmed.ncbi.nlm.nih.gov/15260796
https://pubmed.ncbi.nlm.nih.gov/15260796