Background: Although carbohydrates are the third major class of biological macromolecules, after proteins and DNA, there is neither a comprehensive database for carbohydrate struc...
Motivation: Protein–protein complexes are known to play key roles in many cellular processes. However, they are often not accessible to experimental study because of their low s...
: A novel procedure for docking ligands in a flexible binding site is presented. It relies on conjugate gradient minimization, during which nonbonded interactions are gradually swi...
Background: Amines are biogenic amino acid derivatives, which play pleiotropic and very important yet complex roles in animal physiology. For many other relevant biomolecules, bio...
Persistent homology is the mathematical core of recent work on shape, including reconstruction, recognition, and matching. Its pertinent information is encapsulated by a pairing o...
David Cohen-Steiner, Herbert Edelsbrunner, Dmitriy...