Background: CRANKITE is a suite of programs for simulating backbone conformations of polypeptides and proteins. The core of the suite is an efficient Metropolis Monte Carlo sample...
The problem of finding frequent patterns from graph-based datasets is an important one that finds applications in drug discovery, protein structure analysis, XML querying, and soc...
Glycans are molecules made from simple sugars that form complex tree structures. Glycans constitute one of the most important protein modifications, and identification of glycans...
Background: The study of protein-small molecule interactions is vital for understanding protein function and for practical applications in drug discovery. To benefit from the rapi...
Ratna R. Thangudu, Manoj Tyagi, Benjamin A. Shoema...
Background: Efforts to predict functional sites from globular proteins is increasingly common; however, the most successful of these methods generally require structural insight. ...
Dennis R. Livesay, Patrick D. Kidd, Sepehr Eskanda...