Published August 10, 2022 | Version v1
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O2-tolerant CO dehydrogenase via tunnel redesign for the removal of CO from industrial flue gas

  • 1. School of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology (UNIST), 50 UNIST-gil, Ulsan 44919, Republic of Korea
  • 2. School of Chemical and Biological Engineering, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, Republic of Korea
  • 3. Department of Chemistry, College of Natural Sciences, Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, Republic of Korea

Description

Molecular dynamics simulations for CODH enzymes studied in "O2-tolerant CO dehydrogenase via tunnel redesign for the removal of CO from industrial flue gas".

The repository contains the 10 nanoseconds of NAMD simulation of CODH enzymes.

Files

1SU7_dimer_prep_solvation_SDC_NAMD.dsv

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