Studies on the binding of pepstatin and its derivatives to Rhizopus pepsin by quantum mechanics, molecular mechanics, and free energy perturbation methods

1991 ◽  
Vol 113 (18) ◽  
pp. 6735-6750 ◽  
Author(s):  
B. G. Rao ◽  
U. Chandra Singh



2013 ◽  
Vol 139 (6) ◽  
pp. 064105 ◽  
Author(s):  
Iakov Polyak ◽  
Tobias Benighaus ◽  
Eliot Boulanger ◽  
Walter Thiel




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