Recent Use Cases

Figure 2 / Sadiq SK et al. PNAS (2012)
Kinetic characterization of the critical step in HIV-1 protease maturation

Original article published on PNAS. Researchers used MD simulations to capture the critical

Figure 1 Wright et al. JACS (2012)
Thumbs Down for HIV: Domain Level Rearrangements Do Occur in the NNRTI-Bound HIV‐1 Reverse Transcriptase

Original article published on JACS. Researchers at UCL and UPF could confirm that

Figure 5 / Buch I et al. PNAS (2011)
Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations

Original article published on PNAS. Researchers at UPF were able to quantitatively reconstruct


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