Recent Use Cases

Insights from Fragment Hit Binding Assays by Molecular Simulations

Researchers used HTMD to simultaneously determine fragment binding poses, affinities and kinetics. They

Kinetic characterization of the critical step in HIV-1 protease maturation

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

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