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Free energy perturbation simulations of the inhibition of thermolysin: prediction of the free energy of binding of a new inhibitor
Merz, Kenneth M., Kollman, Peter A.Volume:
111
Language:
english
Journal:
Journal of the American Chemical Society
DOI:
10.1021/ja00197a022
Date:
July, 1989
File:
PDF, 1.03 MB
english, 1989