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Biophysical Journal 58: 803-805 (1990)
© 1990 the Biophysical Society

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Molecular dynamics simulation by atomic mass weighting

Boryeu Mao and Alan R. Friedman

Upjohn Research Laboratories, Kalamazoo, Michigan 49001 USA

ABSTRACT

A molecular dynamics-based simulation method in which atomic masses are weighted is described. Results from this method showed that the capability for conformation search in molecular dynamics simulation of a short peptide (FMRF-amide) is significantly increased by mass weighting.






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Copyright © 1990 by the Biophysical Society.