The Hungarian User Group Meeting will be held November 23rd, 2011 at the Hotel Gellert in Budapest. Schrödinger Senior Vice President Jörg Weiser will present “Structure-Based Prediction of Cytochrome P450 Sites of Metabolism” and Schrödinger Application Scientist Daniel Cappel will present “Phase Field-Based QSAR” and “Rapid Shape-Based Alignment and Virtual Screening based on Atom-Pair Similarities.” The presentations will be followed up in the afternoon with a hands-on training session.
Program
10.00 Welcome and Introduction
10.10 Márton Vass, Ákos Tarcsay, György M. Keserű (Gedeon Richter)
Cooperative Docking with Glide
10.30 Gábor Paragi, Ferenc Bogár, Balázs Jójárt, Ákos Tarcsay, Róbert Kiss,
Botond Penke, György M. Keserű (University of Szeged, Gedeon Richter)
Enrichment Factor Calculations on Ensemble-Based Human H4 Receptor Models
10.50 Ákos Gellért, Katalin Nemes, Katalin Kádár, Katalin Salánki, Ervin Balázs
(Agricultural Research Institute, Agricultural Biotechnology Center)
The C-Terminal Domain of the 2b Protein of Cucumber Mosaic Virus is Stabilized
by Mg(II) Ion Coordination. A Molecular Dynamics Simulation
11.10 Coffee Break
11.30 Jörg Weiser (Schrödinger)
Structure-Based Prediction of Cytochrome P450 Sites of Metabolism
12.00 Daniel Cappel (Schrödinger)
Ligand-Based Approaches in Drug Design - Phase Field-Based QSAR & Rapid
Shape-Based Alignment and Virtual Screening based on Atom-Pair Similarities
12.30 Lunch Break
13.30 Schrödinger workshop conducted by Daniel Cappel (Schrödinger)
Structure-Based Virtual Screening on Factor Xa including Prediction and
Optimization of the Target Structure - Coffee Break in between
16.30 Closing Remarks
This meeting is a great opportunity to interact with Schrödinger scientists and developers and we look forward to meeting you there. For further details, please download the program.