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This blog is meant to allow Fragment-based Drug Design Practitioners to get together and discuss NON-CONFIDENTIAL issues regarding fragments.

Most recent posts

Last week we highlighted a case where undetected zinc contamination turned out to be completely responsible for the observed activity of a fragment hit. But zinc plays many essential roles in biology, and several groups have sought fragments that target metals;...
Much of the early work of fragment screening involves avoiding artifacts. For high-concentration assays, compound purity is absolutely essential. However, this is not always easily assessed, as demonstrated in a recent paper in J. Med. Chem. by Alessio Ciulli,...
There are many great testaments to humanity's perseverance.   The Pyramids at Giza, the Cathedral of Notre Dame , the Great Wall of China, and the most recent Applied Biophysics for Drug Discovery .   This blog typically reviews the content of...

Most popular posts

Chirality underpins all life. Nineteen of the twenty amino acids contain at least one stereocenter, as do all nucelosides, sugars, and most metabolites. The very first fragment I ever found was chiral, but that is not typical, at least judged by those that...
Practical Fragments has had quite a few posts on ligand efficiency (see here, here, and here, for starters). Ligand efficiency (LE) is defined simply as the free energy of binding for a ligand divided by the number of heavy atoms in the ligand. One of the criticisms...
Molecular complexity is a fundamental conceptunderlying fragment-based lead discovery: fragments, being simple, can bind to more sites on proteins and thus give higher hit rates than larger, more complex molecules. The ultimate example of this is water, which...

Latest posts linking here

A list of small, useful things (links):A new blog! Welcome to "The Compounds Turn." Nice first post on beets! Melanie Nelson is offering her "How to Get a Job In Industry" webinar on September 20. Great use of $30, I feel. Latest chemistry retractions...
A list of small, useful things (links):Ash on R.B. WoodwardA removal of an expression of concern for a paper at an RSC journal (via Retraction Watch)A retraction of a series of papers in ACS journals for incorrect coding (again, via Retraction Watch)Prof. Yudin...
A list of small, useful things (links):Fun travel post (chemistry-related) by Stuart CantrillAsh thinks the March for Science is important for industry scientistsAs a non-computationalist, this post at Practical Fragments on measures of molecular complexity...