Author: László Kovács


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

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

New Way of Mono-BOC Protection of Diamines

Feb 27, 2003 - Poster
The calculated pKa values could serve good interpretation for the selective reaction of different diamines in acidic medium. Summarizing the basic requirement for mono protection is 5 dif…

GPCR fragment design: A case study of using drug discovery tools at

May 22, 2012 - Poster
G-protein-coupled receptors (GPCR) are attractive drug targets as their dysfunction can be associated with a large number of diseases. Several class “A” GPCR crystal structure…