Author: Peter Hari

virtuadrug

DockingServer: GUI-based molecular docking on the web using Chemaxon tools

May 7, 2008 - Presentation
DockingServer (www.dockingserver.com) is an internet service developed by Virtua Drug Ltd that calculates the site, geometry and energy of small molecules interacting with proteins. It of…

Molecular Modeling of Enantioseparation of Phenylazetidin Derivatives by Cyclodextrins

Dec 16, 2009 - Publication
β-Lactams are one of the most widely used types of antibiotics. As β-lactams are chiral, the enantiomeric separation of these compounds was investigated using cyclodextrins, frequently …
peragovics

Statistical Ligand Efficiencies effect-specific compound library filtering

May 18, 2011 - Poster
Many outstanding library filtering tools are currently available for computational compound library filtering, however, only a few systematic, effect-specific screening methods exist. We …