The latest Boltzmann Maps enhancements make it easier to apply insights from fragment data to chemical design.
BMaps now includes visualization of fragment map summaries for each fragment map available for a given protein. Map summaries show the highest affinity (lowest chemical potential) pose of a fragment at each site on a protein where the fragment binds. This information is useful in identifying promising scaffold fragments or new sub-pockets to exploit.
Continue reading New: Fragment map summaries and more fragment libraries →