Author: László Kovács

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…
scheme

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…
mcule

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

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…