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Characterizing protein protonation microstates using Monte Carlo sampling

Umesh Khaniya, Junjun Mao, Rongmei Wei, M. R. Gunner
doi: https://doi.org/10.1101/2022.01.07.475457
Umesh Khaniya
1Department of Physics, City College of New York, New York 10031, United States
2Department of Physics, The Graduate Center, City University of New York, New York 10016
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Junjun Mao
1Department of Physics, City College of New York, New York 10031, United States
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Rongmei Wei
1Department of Physics, City College of New York, New York 10031, United States
3Department of Chemistry, The Graduate Center, City University of New York, New York 10016
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M. R. Gunner
1Department of Physics, City College of New York, New York 10031, United States
2Department of Physics, The Graduate Center, City University of New York, New York 10016
3Department of Chemistry, The Graduate Center, City University of New York, New York 10016
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  • For correspondence: mgunner@ccny.cuny.edu
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Article Information

doi 
https://doi.org/10.1101/2022.01.07.475457
History 
  • January 10, 2022.
Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license.

Author Information

  1. Umesh Khaniya1,2,
  2. Junjun Mao1,
  3. Rongmei Wei1,3 and
  4. M. R. Gunner1,2,3,*
  1. 1Department of Physics, City College of New York, New York 10031, United States
  2. 2Department of Physics, The Graduate Center, City University of New York, New York 10016
  3. 3Department of Chemistry, The Graduate Center, City University of New York, New York 10016
  1. ↵*Correspondence:
    Department of Physics, City College of New York, 160 Convent Avenue, New York, NY 10031, USA, E-mail address: mgunner{at}ccny.cuny.edu (M.R. Gunner)
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Posted January 10, 2022.
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Characterizing protein protonation microstates using Monte Carlo sampling
Umesh Khaniya, Junjun Mao, Rongmei Wei, M. R. Gunner
bioRxiv 2022.01.07.475457; doi: https://doi.org/10.1101/2022.01.07.475457
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Characterizing protein protonation microstates using Monte Carlo sampling
Umesh Khaniya, Junjun Mao, Rongmei Wei, M. R. Gunner
bioRxiv 2022.01.07.475457; doi: https://doi.org/10.1101/2022.01.07.475457

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