The emergence of drug-resistant mutants of HIV-1 is a tragic effect associated with
conventional long-treatment therapies against acquired immunodeficiency syndrome. These …

The protease from type 1 human immunodeficiency virus (HIV‐1) is a critical drug target
against which many therapeutically useful inhibitors have been developed; however, the set …

Drug resistant mutations have severely restricted the success of HIV therapy. These
mutations frequently involve the aspartic protease encoded by the virus. Knowledge of the …

HIV proteases can develop resistance to therapeutic drugs by mutating specific residues, but
still maintain activity with their natural substrates. To gain insight into why mutations confer …

HIV-1 protease is an important antiretroviral drug target due to its key role in viral maturation.
Computational models have been successfully used in the past to understand the dynamics …

A major problem in the antiretroviral treatment of HIV-infections with protease-inhibitors is
the emergence of resistance, resulting from the occurrence of distinct mutations within the …

To test the anticorrelated relationship that was recently displayed in conventional molecular
dynamics (MD) simulations, several different restrained MD simulations on a wild type and …

HIV-1 protease is an essential enzyme in the life cycle of the HIV-1 virus. The conformational
dynamics of the flap region of the protease is critical for the ligand binding mechanism, as …

The HIV-1 protease is an important drug target in antiretroviral therapy due to the crucial role
it plays in viral maturation. A greater understanding of the dynamics of the protease as a …

A coarse grained model for proteins is developed and applied to HIV-1 protease. Molecular
dynamics simulations on the μsec timescale and the use of a flexible force field allow study …