AMBER-ASTERISK TORSIONAL PARAMETERS FOR THE PEPTIDE BACKBONE

[摘要] A new set of torsional parameters for peptides in the AMBER force field is described which reproduces ab initio calculations on the conformational preferences of simple peptides better than the original set. We designate the new parameter set as AMBER* and show how it compares with the performance of AMBER in reproducing the x-ray structure of the small protein crambin.

[发布日期] 1992-12-08