ABSINTH: A new continuum solvation model for simulations of polypeptides in aqueous solutions

  1. Andreas Vitalis,
  2. Rohit V. Pappu*

Article first published online: 27 MAY 2008

DOI: 10.1002/jcc.21005

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Volume 30, Issue 5, pages 673–699, 15 April 2009

Additional Information

How to Cite

Vitalis, A. and Pappu, R. V. (2009), ABSINTH: A new continuum solvation model for simulations of polypeptides in aqueous solutions. J. Comput. Chem., 30: 673–699. doi: 10.1002/jcc.21005

Author Information

  1. Department of Biomedical Engineering, Molecular Biophysics Program, and Center for Computational Biology, Washington University in St. Louis, One Brookings Drive, Campus Box 1097, St. Louis, Missouri 63130

*Department of Biomedical Engineering, Molecular Biophysics Program, and Center for Computational Biology, Washington University in St. Louis, One Brookings Drive, Campus Box 1097, St. Louis, Missouri 63130

Publication History

  1. Issue published online: 23 FEB 2009
  2. Article first published online: 27 MAY 2008
  3. Manuscript Accepted: 17 MAR 2008
  4. Manuscript Revised: 26 FEB 2008
  5. Manuscript Received: 18 OCT 2007

Funded by

  • National Science Foundation. Grant Number: MCB 0416766
  • National Institutes of Health. Grant Number: R01 NS056114

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