Accurate Calculations of Binding, Folding, and Transfer Free Energies by a Scaled Generalized Born Method

Stability of polypeptide conformational

Stability of polypeptide conformational states. II. Folding of a polypeptide chain by the scanning simulation method, and calculation of the free energy of the statistical coil

✍ Hagai Meirovitch; M. Vásquez; Harold A. Scheraga 📂 Article 📅 1988 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 911 KB

The scanning simulation method suggested by Meirovitch is extended to a study of the stability of decaglycine at 100 and 300 K. The model is based on the potential energy function ECEPP (Empirical Conformational Energy Program for Peptides) with rigid geometry and without solvent. The free energy of