PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations

Scheurer, Maximilian; Rodenkirch, Peter; Siggel, Marc; Bernardi, Rafael C.; Schulten, Klaus; Tajkhorshid, Emad; Rudack, Till

doi:10.1016/j.bpj.2017.12.003

Title: PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations

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Authors:: Scheurer, Maximilian; Rodenkirch, Peter; Siggel, Marc; Bernardi, Rafael C.; Schulten, Klaus; Tajkhorshid, Emad; Rudack, Till

Publication Date:: 2018-02-01

Sponsoring Org.:: USDOE

OSTI Identifier:: 1548708

Grant/Contract Number:: AC02-06CH11357

Resource Type:: Published Article

Journal Name:: Biophysical Journal

Additional Journal Information:: Journal Name: Biophysical Journal Journal Volume: 114 Journal Issue: 3; Journal ID: ISSN 0006-3495

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Citation Formats


                    Scheurer, Maximilian, Rodenkirch, Peter, Siggel, Marc, Bernardi, Rafael C., Schulten, Klaus, Tajkhorshid, Emad, and Rudack, Till. PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations.  United States: N. p., 2018. 
Web.  doi:10.1016/j.bpj.2017.12.003.

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                    Scheurer, Maximilian, Rodenkirch, Peter, Siggel, Marc, Bernardi, Rafael C., Schulten, Klaus, Tajkhorshid, Emad, & Rudack, Till. PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations.  United States.  https://doi.org/10.1016/j.bpj.2017.12.003

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                    Scheurer, Maximilian, Rodenkirch, Peter, Siggel, Marc, Bernardi, Rafael C., Schulten, Klaus, Tajkhorshid, Emad, and Rudack, Till. Thu .  
"PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations".  United States.  https://doi.org/10.1016/j.bpj.2017.12.003.

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@article{osti_1548708,

  title        = {PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations},

  author       = {Scheurer, Maximilian and Rodenkirch, Peter and Siggel, Marc and Bernardi, Rafael C. and Schulten, Klaus and Tajkhorshid, Emad and Rudack, Till},

  abstractNote = {},

  doi          = {10.1016/j.bpj.2017.12.003},

  journal      = {Biophysical Journal},

  number       = 3,

  volume       = 114,

  place        = {United States},

  year         = {2018},

  month        = {2}

}

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