What information do I need to justify my drug discovery software renewal?
Justifying software renewal requires more than highlighting features; you need quantifiable ROI data that resonates with budget holders. Whether it’s…
This paper demonstrates how the Surflex-PSIM method can help investigate hypotheses around protein function in cases where function cannot be determined by sequence similarity.
Surflex-PSIM is a surface-based protein similarity algorithm, which supports fully automatic binding site detection and is fast enough to screen comprehensive databases of protein binding sites.
In this study, binding site detection was validated on apo/holo cognate protein pairs, and used to screen a set of 8 proteins that had poorly characterized functions at the time of crystallization, but were later biochemically annotated. It showed excellent performance identifying binding site matches, and for a panel of 12 unannotated proteins, supported suggestion of likely functions.
Justifying software renewal requires more than highlighting features; you need quantifiable ROI data that resonates with budget holders. Whether it’s…
Set up for success with hands-on training sessions We start with dedicated training sessions where you and your team get…
Nearly all computational methods in the CADD field depend on parameters whose values are derived from various types of experimental…