Empirical Parameters for Estimating Protein-Protein Binding Energies:Number of Short- and Long-Distance Atom-Atom Contacts
Authors: Zeng, Zong-Hao; Li, Yong C.
Source: Protein and Peptide Letters, Volume 15, Number 2, February 2008 , pp. 223-231(9)
Publisher: Bentham Science Publishers
Abstract:The number of atom-atom contacts in long distance can fit to the experimental binding energies in a dataset containing 151 experimental data with the correlation coefficient about 0.68. Based on this factor, a set of distancedependent empirical potentials for various types of short-distance (2.4 Å-5 Å) contacts was obtained by guided fitting, i.e. a set of two parameters fitting. Incorporation of these short-distance potentials improved the correlation coefficients to 0.881.
Document Type: Research Article
Publication date: 2008-02-01
- Protein & Peptide Letters publishes short papers in all important aspects of protein and peptide research, including structural studies, recombinant expression, function, synthesis, enzymology, immunology, molecular modeling, drug design etc. Manuscripts must have a significant element of novelty, timeliness and urgency that merit rapid publication. Reports of crystallisation, and preliminary structure determinations of biologically important proteins are acceptable. Purely theoretical papers are also acceptable provided they provide new insight into the principles of protein/peptide structure and function.