17th Annual European User Meeting, Amsterdam, Netherlands
We are pleased to welcome you to the Schrödinger 17th Annual European User Meeting, to be held September 20th - 22nd, 2017 at the Koepelkerk in Amsterdam, Netherlands.
Continuing the tradition of excellent scientific discourse, this year's meeting will include workshops and presentations from users in industry and academia. There will also be opportunities to discuss and network with experts in the field of computational chemistry. If you would like to read a recap of last year's European User Meeting, please click here.
Following positive feedback, this year we'll be hosting another panel discussion on "MD and Enhanced Sampling."
Agenda
Wednesday, September 20
13:00 - 13:30 | Registration |
13:30 - 13:35 | Welcome and Opening Jianxin Duan, Schrödinger |
13:35 - 14:30 | Workshop 1: Tips and Tricks in Maestro 11 [read more] Jas Bhachoo, Schrödinger
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14:30 - 15:30 | Workshop 2: Command Line Tools and Scripting in Maestro 11 [read more] Katalin Phimister, Schrödinger
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15:30 - 16:15 | Coffee Break |
16:15 - 17:45 | Workshop 3: FEP+ - Beyond Affinity Calculations [read more] Thomas Steinbrecher, Schrödinger
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17:45 - 18:00 | Break |
18:00 - 19:00 | Panel Discussion: MD and Enhanced Sampling |
19:00 - 22:00 | Networking Dinner |
Thursday, September 21
08:00 - 08:30 | Registration |
08:30 - 10:30 | Workshop 4: LiveDesign 8.0 - New Tools and Features [read more]
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10:30 - 11:00 | Coffee Break |
11:00 - 12:30 | Workshop 5: Biologics - Modeling with BioLuminate [read more] Christopher Negron, Schrödinger
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12:30 - 13:50 | Lunch Break |
13:50 - 14:00 | Introduction Jörg Weiser, Schrödinger |
14:00 - 14:30 | Chido Mpamhanga, LifeArc |
14:30 - 15:00 | Mario Lobell, Bayer AG Discovery of Rogaratinib (BAY 1163877) - a Novel and Selective pan-FGFR Inhibitor |
15:00 - 15:30 | Pavel Yakovlev, Biocad Bayesian Optimization for Small Molecule Hit Generation |
15:30 - 16:00 | Coffee Break |
16:00 - 16:30 | Manuela López de la Paz, Merz Pharmaceuticals GmbH Modulation of the Stability of Botulinum Toxin A by Increasing the Stability of its Light Chain |
16:30 - 17:00 | Johannes Maier, Schrödinger A Computational Tool Set for the Detection of Liabilities in Bio-Therapeutics |
17:00 - 17:30 | Kwame Amaning, Sanofi Do Free Energy Perturbation Calculations Have a Role to Play in Improving Integrated Fragment Based Drug Design Workflows? |
17:30 - 18:00 | Thomas Steinbrecher, Schrödinger Improving Applications of FEP+ in Lead Compound Optimization |
18:30 - 19:30 | Canal Boat Ride |
19:45 - 22:00 | eUGM Dinner |
Friday, September 22
08:00 - 08:30 | Registration |
08:30 - 09:00 | Rosella Ombrato, Angelini Research Center Useful Modelling Approaches in the Discovery of Novel GSK-3b Inhibitors |
09:00 - 09:30 | Christina Schindler, Merck KGaA Relative Binding Affinity Prediction of Farnesoid X Receptor in the D3R Grand Challenge 2 using FEP+ |
09:30 - 10:00 | Katharina Meier, Bayer AG Leading or Supporting Actor: Impact of binding free energy calculations on active drug discovery projects |
10:00 - 10:40 | Coffee Break |
10:40 - 11:10 | Giovanni Bottegoni and Juan Carlos Mobarec, Heptares Metadynamics with Desmond and SuMTD to Predict Drug-GPCR Kinetics |
11:10 - 12:30 | Richard Friesner, Columbia University Computational Methods for Ligand Design and Optimization: Free Energy Perturbation and Beyond |
12:30 - 14:00 | Lunch |
End of 17th Annual European User Group Meeting |
*Please Note: The agenda is subject to change
Poster Submissions
- Poster submissions are welcome for review by e-mailing the title and short abstract directly to the UGM Team:
Registration
The registration fee is €400 + VAT; to register, please click here.
Please note: The UGM fee covers registration and food, but accommodations are NOT included in the registration fee.