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Peptide Free Energy Landscapes Calibrated by Molecular Orbital Calculations

✍ Scribed by S. Ono; M. Kuroda; J. Higo; N. Kamiya; N. Nakajima; H. Nakamura

Book ID
110395074
Publisher
Springer Netherlands
Year
2002
Tongue
English
Weight
152 KB
Volume
28
Category
Article
ISSN
0092-0606

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✍ Satoshi Ono; Masataka Kuroda; Junichi Higo; Nobuyuki Nakajima; Haruki Nakamura πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 267 KB

## Abstract The free energy landscapes of peptide conformations were calibrated by __ab initio__ quantum chemical calculations, after the enhanced conformational diversity search using the multicanonical molecular dynamics simulations. Three different potentials of mean force for an isolated dipept