Work Description

Title: POP BpyAla Switch MD Simulations Open Access Deposited

http://creativecommons.org/licenses/by-nc/4.0/
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Abstract
  • We previously established that pairs of bipyridinylalanine (BpyAla) residues could be genetically encoded into enzymes to control their activity in response to metal ions. In this study, we use molecular dynamics simulations conducted using NAMD to probe the conformational dynamics of a prolyl oligopeptidase (POP) containing a BpyAla switch in the presence and absence of Ni(II).
Methodology
  • These simulations were conducted using NAMD
Description
  • These simulations were conducted using NAMD
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Funding agency
  • Department of Defense (DOD)
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Last modified
  • 05/29/2024
DOI
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To Cite this Work:
Lewis, J. POP BpyAla Switch MD Simulations [Data set]. Indiana University - DataCORE. https://doi.org/10.5967/sva2-h189

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with_Ni.tar.gz 2024-05-28 2024-05-28 Open Access

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