Institution: Richter Gedeon


Comparison of pKa predictors on in-house dataset

Sep 14, 2010 - Poster
The success of the virtual screening is fundamentally influenced by the optimal tautomer form and ionization state that underlines the importance of accurate pKa prediction for even large…

ChemAxon tools at Gedeon Richter

May 25, 2016 - Presentation
Headquartered in Hungary, Gedeon Richter Plc. (GR) is an innovation-driven specialty pharmaceutical company. Vertically integrated, the company is engaged in pharmaceutical manufacturing,…

How Are Fragments Optimized? A Retrospective Analysis of 145 Fragment Optimizations

Feb 25, 2013 - Publication
Fragment optimizations in nearly 150 fragment based drug discovery programs reported in the literature during the past fifteen years were investigated. By analyzing physicochemical proper…

Virtual Fragment Docking by Glide: a Validation Study on 190 Protein-Fragment Complexes

May 11, 2010 - Publication
The docking accuracy of Glide was evaluated using 16 different docking protocols on 190 protein−fragment complexes representing 78 targets. Standard precision docking (Glide SP) based p…

Developing a JChem based web application for searching compounds in vendor databases

Jun 4, 2009 - Poster
Using JChem Cartridge and JChem Base functionalities a web application was developed for searching in vendor databases collected by the molecular modelling group of Gedeon Richter plc. Th…

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…