Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysis
Author:
Publisher
Wiley
Subject
Molecular Biology,Biochemistry,Structural Biology
Reference41 articles.
1. On the calculation of electrostatic interactions in proteins
2. Building models of globular protein molecules from their amino acid sequences
3. On the environment of ionizable groups in globular proteins
4. Calculation of the electric potential in the active site cleft due to α-helix dipoles
5. Electrostatic interactions in globular proteins: Calculation of the pH dependence of the redox potential of cytochrome c551
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