Molecular Design

previous || next >> Mel reviewed an important article on maximal affinity of ligands to kick off our sequence of posts on ligand ef...

previous || next >> I originally intended to discuss some of the factors that impose the upper limits on binding that are observed....

Fragments typically have to be screened at high concentration because they normally only bind weakly to their targets and the physicochemica...

The first law of computing (garbage in, garbage out) applies equally well to screening fragments. Selection of compounds for fragment scree...

| next >> It is during the opening remarks for the RSC BMCS Fragments 2009 Conference that I think to myself that Stalin anticipated ...

|| next >> In the previous post , I noted that two Astex kinase inhibitors were derived from fragments that lacked acyclic substitue...

|| next >> Having introduced extent of substitution as a measure of molecular complexity in an earlier post , I was particularly inte...