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Frozen out: molecular modeling in the age of cryocrystallography

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Abstract

As molecular modellers we need to remember that the flexibility of a protein is necessary for it to function. Unfortunately, this flexibility is not readily apparent from the seductive molecular graphics rendering of cryocrystallographic results.

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Authors and Affiliations

  1. Martin Consulting, 2230 Chestnut St., Waukegan, IL, 60087, USA

    Yvonne C. Martin

  2. Cheminformatics Group, Advanced Technology, Global Pharmaceutical Research Division, Abbott Laboratories, 100 Abbott Park Rd., Abbott Park, IL, USA

    Steven W. Muchmore

Authors
  1. Yvonne C. Martin
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  2. Steven W. Muchmore
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Correspondence to Yvonne C. Martin.

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Martin, Y.C., Muchmore, S.W. Frozen out: molecular modeling in the age of cryocrystallography. J Comput Aided Mol Des 26, 91–92 (2012). https://doi.org/10.1007/s10822-011-9537-7

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  • DOI: https://doi.org/10.1007/s10822-011-9537-7

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