Parity-Violation Energy of Biomolecules—IV: Protein Secondary Structure
✍ Scribed by Francesco Faglioni; Inmaculada García Cuesta
- Publisher
- Springer Netherlands
- Year
- 2010
- Tongue
- English
- Weight
- 306 KB
- Volume
- 41
- Category
- Article
- ISSN
- 1573-0875
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📜 SIMILAR VOLUMES
Short-range interactions for secondary structures of proteins are evaluated as potentials of mean force from the observed frequencies of secondary structures in known protein structures which are assumed to have an equilibrium distribution with the Boltzmann factor of secondary structure energies. A
## Abstract Conformational energy calculations using an empirical conformatinol energy program for peptides (ECEPP) werer carried out on 16 __N__‐acetyl‐__N__′‐methylamides of Ser‐X and X‐ Ser dipeptides, where X = Ala, Asn, Asn, Asp, Gly, Phe, Ser, Thr, and Val, and on Pro‐Ser. As with the other d
## Abstract The one‐step free energy perturbation approach can be applied to obtain conformational state‐specific free energy differences (FEDs) associated with changes in force field parameters, and thus offers the possibility to consider conformational equilibria during force field parameterizati