Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference42 articles.
1. Ab initio pair potentials for the interactions between aliphatic amino acids
2. Atomic charge models for polypeptides derived fromab initio calculations
3. Partial charges by multipole constraint. Application to the amino acids
4. Energy parameters in polypeptides. 10. Improved geometrical parameters and nonbonded interactions for use in the ECEPP/3 algorithm, with application to proline-containing peptides
5. A new general form of molecular force fields. Application to intra- and interresidue interactions in peptides
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