Calibration of force-field dependency in
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Satoshi Ono; Masataka Kuroda; Junichi Higo; Nobuyuki Nakajima; Haruki Nakamura
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Article
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2002
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John Wiley and Sons
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English
⚖ 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