Population
Human rhinovirus 14 (HRV14) model for molecular dynamics simulations
Comparison
Binding of a hydrophobic antiviral drug vs Drug-free viral simulations
Design
Preclinical
Authors
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Supports entropic analyses in antiviral design; leaves open in vivo and clinical translation.
Molecular dynamics simulations indicate that the stabilization of human rhinovirus 14 by hydrophobic antiviral drugs is primarily driven by entropic effects, which should be considered in future drug design.
Phelps et al. (1999) studied this question.
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