Ab initio molecular dynamics study of hydration structure of trimethylamine N-oxide and urea

Presentation information

Asian International Symposium

Mon. Mar 18, 2019 1:00 PM - 5:30 PM A3 (131, Bldg. 1 [3F])

3A3-25～3A3-31　Tachikawa, Masanori
3A3-34～3A3-40　Hishikawa, Akiyoshi
3A3-43～3A3-49　Saito, Shinji

2:00 PM - 2:20 PM

○Ohto, Tatsuhiko (Osaka Univ.)

Keywords:AIMD、osmolyte、TMAO、hydrogen bond、free energy

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