Monte Carlo determination of the free energy and internal energy of hydration for the Ala dipeptide at 25.degree.C
- 1 April 1985
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 107 (8) , 2239-2245
- https://doi.org/10.1021/ja00294a005
Abstract
No abstract availableKeywords
This publication has 9 references indexed in Scilit:
- Solvent-dependent conformational distributions of some dipeptidesJournal of the American Chemical Society, 1980
- Solvation. A molecular dynamics study of a dipeptide in waterJournal of the American Chemical Society, 1979
- A model for the simulation of an aqueous dipeptide solutionBiopolymers, 1979
- Conformational behaviour of the architectural units of peptides and proteins. Assessment of current understanding by ab initio quantum mechanical methods and refinement of the dipeptide energy surfaceJournal of Theoretical Biology, 1979
- A model for hydration of peptides and its application to the conformational analysis of terminally blocked amino acids and dipeptidesProceedings of the National Academy of Sciences, 1978
- Conformational studies on polynucleotide chains. I. Hartree‐fock energies and description of nonbonded interactions with Lennard‐Jones potentialsBiopolymers, 1978
- Analytical potentials from "ab initio" computations for the interaction between biomolecules. 1. Water with amino acidsJournal of the American Chemical Society, 1977
- Energetics of the deformation of a peptide unitBiochimica et Biophysica Acta (BBA) - Protein Structure, 1976
- Conformational energy estimates for statistically coiling polypeptide chainsJournal of Molecular Biology, 1967