34th IUPAP Conference on Computational Physics(CCP2023)

Presentation information

Contributed talks (Chemical physics/Biophysics/Softmatter physics)

Chemical physics/Biophysics/Softmatter physics

Parallel session 2

Tue. Aug 8, 2023 2:30 PM - 3:50 PM 501 (Room 3) (5F)

Chair (03 - 04): Mai Suan Li (Institute of Physics, Polish Academy of Sciences)
Chair (05 - 06): Shinichi Miura (Faculty of Mathematics and Physics, Kanazawa University)

2:30 PM - 2:50 PM

[C08-2-03] Association of neomycin to a riboswitch: a molecular dynamics simulation study

Piotr Chyzy1, *Marta Kulik2, Ai Shinobu3, Suyong Re3,4, Yuji Sugita3,5,6, Joanna Trylska1 (1. Centre of New Technologies, University of Warsaw, Warsaw (Poland), 2. Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Warsaw (Poland), 3. RIKEN Center for Biosystems Dynamics Research, Kobe (Japan), 4. National Institutes of Biomedical Innovation, Health, and Nutrition, Ibaraki (Japan), 5. RIKEN Cluster for Pioneering Research, Wako (Japan), 6. RIKEN Center for Computational Science, Kobe (Japan))

On-demand video

Keywords:riboswitch, neomycin, aminoglycosides, replica-exchange molecular dynamics, gREST/REUS

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