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Pinak, M.; Nemoto, Toshiyuki*
Proceedings of International Conference on Supercomputing in Nuclear Applications (SNA 2003) (CD-ROM), 15 Pages, 2003/00
The molecular dynamics (MD) studies of oxidative lesions on DNA molecules are presented with respect to the proper recognition of lesions by their respective repair enzymes. The recognition of lesion and the formation of stable DNA-enzyme complex are necessary conditions for the onset of the enzymatic repair process. Two DNA lesions, thymine glycol and 8-oxoguanine were subjected to the MD simulations for several hundreds picoseconds using MD simulation codes AMBER 5.0 and AMBER 7.0. Amber was changed and partly vectorized to be able to handle this large systems. Simulations were performed on FUJITSU VPP5000/64 vector/parallel type, the HITACHI SR8000 and FUJITSU PRIMEPOWER parallel types supercomputers.
Watanabe, Kenji*; Yokokawa, Mitsuo; ;
JAERI-M 90-192, 32 Pages, 1990/11
no abstracts in English
*; *; *; ; Harada, Hiro
JAERI-M 90-138, 73 Pages, 1990/09
no abstracts in English
*; ;
JAERI-M 90-108, 77 Pages, 1990/07
no abstracts in English