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Ligand Strain and Entropic Effects on the Binding of Macrocyclic and Linear Inhibitors: Molecular Modeling of Penicillopepsin Complexes.
Dimas Suárez
Natalia Díaz
Published in:
J. Chem. Inf. Model. (2017)
Keyphrases
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hiv protease
three dimensional
mathematical modeling
drug discovery
similarity search
information theory
protein protein interactions
drug design
dna computing