Intraprotein electrostatics derived from first principles: Divide-and-conquer approaches for QM/MM calculations

  1. Pablo A. Molina,
  2. Hui Li,
  3. Jan H. Jensen*

Article first published online: 23 SEP 2003

DOI: 10.1002/jcc.10333

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Volume 24, Issue 16, pages 1971–1979, December 2003

Additional Information

How to Cite

Molina, P. A., Li, H. and Jensen, J. H. (2003), Intraprotein electrostatics derived from first principles: Divide-and-conquer approaches for QM/MM calculations. J. Comput. Chem., 24: 1971–1979. doi: 10.1002/jcc.10333

Author Information

  1. Department of Chemistry, University of Iowa, Iowa City, IA 52242

*Department of Chemistry, University of Iowa, Iowa City, IA 52242

Publication History

  1. Issue published online: 23 SEP 2003
  2. Article first published online: 23 SEP 2003
  3. Manuscript Accepted: 22 APR 2003
  4. Manuscript Received: 17 MAR 2003

Funded by

  • Research Innovation Award from the Research Corporation and the National Science Foundation. Grant Number: MCB 0209941
  • NSF. Grant Number: CHE-9974502

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