Solvent models for protein–ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations

  1. Linda Yu Zhang1,
  2. Emilio Gallicchio1,
  3. Richard A. Friesner2,
  4. Ronald M. Levy1,*

Article first published online: 20 MAR 2001

DOI: 10.1002/jcc.1031

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Volume 22, Issue 6, pages 591–607, 30 April 2001

Additional Information

How to Cite

Zhang, L. Y., Gallicchio, E., Friesner, R. A. and Levy, R. M. (2001), Solvent models for protein–ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations. J. Comput. Chem., 22: 591–607. doi: 10.1002/jcc.1031

Author Information

  1. 1

    Chemistry Department, Rutgers, The State University of New Jersey, 610 Taylor Road, Piscataway, New Jersey 08854

  2. 2

    Department of Chemistry, Columbia University, New York, New York 10027

*Chemistry Department, Rutgers, The State University of New Jersey, 610 Taylor Road, Piscataway, New Jersey 08854

Publication History

  1. Issue published online: 20 MAR 2001
  2. Article first published online: 20 MAR 2001
  3. Manuscript Accepted: 26 OCT 2000
  4. Manuscript Received: 13 JUL 2000

Funded by

  • NIH. Grant Numbers: GM30580, GM52019, RR06892
  • Center for Biomolecular Simulations at Columbia University

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