The authors state no conflict of interest.
Toward accurate prediction of pKa values for internal protein residues: The importance of conformational relaxation and desolvation energy†
Article first published online: 11 JUL 2011
Copyright © 2011 Wiley-Liss, Inc.
Proteins: Structure, Function, and Bioinformatics
Special Issue: Protein Electrostatics Calculations: Critical Assessment of Progress and Problems
Volume 79, Issue 12, pages 3364–3373, December 2011
How to Cite
Wallace, J. A., Wang, Y., Shi, C., Pastoor, K. J., Nguyen, B.-L., Xia, K. and Shen, J. K. (2011), Toward accurate prediction of pKa values for internal protein residues: The importance of conformational relaxation and desolvation energy. Proteins, 79: 3364–3373. doi: 10.1002/prot.23080
- Issue published online: 10 NOV 2011
- Article first published online: 11 JUL 2011
- Accepted manuscript online: 17 MAY 2011 04:42PM EST
- Manuscript Accepted: 4 MAY 2011
- Manuscript Revised: 23 APR 2011
- Manuscript Received: 11 JAN 2011
- University of Oklahoma, American Chemical Society Petroleum Fund
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