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Free energy landscapes of peptides by enhanced conformational sampling

✍ Scribed by Nobuyuki Nakajima; Junichi Higo; Akinori Kidera; Haruki Nakamura

Book ID
115629950
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
555 KB
Volume
296
Category
Article
ISSN
0022-2836

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Calibration of force-field dependency in
Calibration of force-field dependency in free energy landscapes of peptide conformations by quantum chemical calculations
✍ 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