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Phys."},{"key":"C9CP02645B-(cit76)\/*[position()=1]","first-page":"327","volume":"23","author":"Ryckaert","year":"1977","journal-title":"J. Chem. Phys."},{"key":"C9CP02645B-(cit77)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"028102","DOI":"10.1103\/PhysRevLett.98.028102","volume":"98","author":"Hegger","year":"2007","journal-title":"Phys. Rev. Lett."},{"key":"C9CP02645B-(cit78)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2577","DOI":"10.1002\/bip.360221211","volume":"22","author":"Kabsch","year":"1983","journal-title":"Biopolymers"},{"key":"C9CP02645B-(cit79)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"889","DOI":"10.1021\/ar000033j","volume":"33","author":"Kollman","year":"2000","journal-title":"Acc. Chem. Res."},{"key":"C9CP02645B-(cit80)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1016\/S0959-440X(00)00197-4","volume":"11","author":"Simonson","year":"2001","journal-title":"Curr. Opin. Struct. 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