Modeling Structural Coordination and Ligand Binding in Zinc Proteins with a Polarizable Potential - Archive ouverte HAL
Journal Articles Journal of Chemical Theory and Computation Year : 2012

Modeling Structural Coordination and Ligand Binding in Zinc Proteins with a Polarizable Potential

Jiajing Zhang
  • Function : Author
University of Texas at Austin [Austin]
Wei Yang
  • Function : Author
  • PersonId : 992404
Florida State University [Tallahassee]
Jean-Philip Piquemal
Laboratoire de chimie théorique
CV
Pengyu Ren
  • Function : Author
Biomedical Engineering [Austin]

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Chemical Sciences Theoretical and/or physical chemistry

Jean-Philip Piquemal  : Connect in order to contact the contributor

https://hal.science/hal-02126837

Submitted on : Sunday, May 12, 2019-11:35:01 PM

Last modification on : Friday, May 31, 2024-12:52:15 PM

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hal-02126837 , version 1 (12-05-2019)

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Jiajing Zhang, Wei Yang, Jean-Philip Piquemal, Pengyu Ren. Modeling Structural Coordination and Ligand Binding in Zinc Proteins with a Polarizable Potential. Journal of Chemical Theory and Computation, 2012, 8 (4), pp.1314-1324. ⟨10.1021/ct200812y⟩. ⟨hal-02126837⟩

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