pH-Dependent Stability of a Decalysine α-Helix Studied by Explicit-Solvent Molecular Dynamics Simulations at Constant pH

A pH-dependent variation in α-helix stru

A pH-dependent variation in α-helix structure of the S-peptide of ribonuclease A studied by Monte Carlo simulated annealing

✍ Takashi Nakazawa; Sumiko Ban; Yuka Okuda; Masato Masuya; Ayori Mitsutake; Yuko O 📂 Article 📅 2002 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 386 KB 👁 1 views

## Abstract Low‐energy conformations of the S‐peptide fragment (20 amino acid residues long) of ribonuclease A were studied by Monte Carlo simulated annealing. The obtained lowest‐energy structures have α‐helices with different size and location, depending distinctively on the ionizing states of ac