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Molecular Discovery – European MD User Meeting 2016 – 04-05-2016

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We are present at the European MD User Meeting 2016, Perugia, Italy.

AGENDA OF THE MEETING

Day 1: Wednesday 4th of May

  • 12:00 Arrival of people.
  • 12:00-14:00 Lunch.
  • Afternoon session: 14:00 – 18:30:
    • 14:00-14:20: Ismael Zamora /Gabriele Cruciani . Welcome and introduction to the MD user meeting.
    • 14:20-14:40: Gabriele Cruciani. New advances in MetaSite: AOXs.
    • 14:40-15:00: Ismael Zamora. Peptides in Webmetabase.
    • 15:00-15:30: Coffee break.
    • 15:30-16:20: Gabriele Cruciani. Lipostar the new MD tool for lipidomics analysis.
    • 16:20-16:40: Ismael Zamora. Custom reactions in MassChemSite.
    • 16:40-17:10: Gabriele Cruciani. BioGPS. A MD tool for off target effect analysis.
    • 17:10-17:30: Ismael Zamora. New features in 3.2. Fragment tree, Kinetic analysis of pathways.
    • 17:30-18:30: Time for discussion. Ismael Zamora, Luca Morettoni and Gabriele Crucciani will be available to discuss different issues.
  • 18:30 – Dinner.

Day 2: Thursday 5th of May

  • Morning session 9:00-13:00: Presentation from users and round table for discussion. The presentations will be 20-30 min aprox and the 10-20 min discussion.
    • 9:00-9:40: Chris Kochansky. (Merck) Use of WebMetabase to Propose, Predict, Pontificate, and then Store Metabolite Identifications in Small Molecule Drug Discovery.
    • 9:40-10:20: Shangkai Liao (Vertex). Unconventional Biotransformations with MassMetasite.
    • 10:20-11:00: Marina Slavsky (Genzyme). Workflow of Metabolic Stability Assay with Soft Spot ID for Drug Discovery.
    • 11:00-11:20: Coffee break.
    • 11:20-12:00: Mark Cancilla (Merck) Utilization of Mass-MetaSite for in vitro and in vivo Metabolite Identification of Complex Therapeutic Peptides.
    • 12:00-12:40: Reema Harish (Theravance). Biotransformation Process Improvements Using WebMetabase and MassMetaSite.
    • 12:40-13:00: Concluding remarks. Ismael Zamora.
  • 13:00-14:00 – Lunch.
  • Afternoon session: 14:00-18:30: What next in MassMetaSite/WebMetabase/MassChemSite.
    • 14:00-15:00: Ismael Zamora: Ideas for the new WebMetabase 4.0.
    • 15:00-15:30: Blanca Serrra: MassChemsite plans.
    • 15:30-16:00: Coffe break.
    • 16:00: 16:30: Luca Morettoni/Nadia Zara: Import/Export function. Consolidation tool and cluster edition.
    • 16:30-17:00: Fabien Fontaine: New acquisition modes (SWATH, IMS, radio label, fluorescence). Finding new red peaks.
    • 17:00-17:30: Round table. Suggestions from the users and discussion on priorization.
    • 17:30-18:30: Time for discussion. Ismael Zamora, Luca Morettoni, Fabien Fontaine, Blanca Serra and Gabriele Crucciani will be available to discuss different issues.
  • 18:30 – Dinner.

Day 3: Friday 6th of May

  • Morning session 9:00-13:00: Presentation from users and round table for discussion. The presentations will be 20-30 min aprox and the 10-20 min discussion.
    • 9:00-9:40: Yong Liu (Merck). High Resolution Mass Spectrometry with Automated Data Analysis using Mass-MetaSite to Support Late Stage Functionalization.
    • 9:40-10:20: Brian Boucher (Vertex). Building a High Throughput Quan/Qual Workflow Using WebMetabase.
    • 10:20-11:00: Xavier Poisson (Servier). TBD.
    • 11:00-11:20: Coffee break.
    • 11:20-12:00 Alain Krick/Virginie Gosselin (Sanofi Paris). Current, Forecast, limitation and expectation use of WMB in Sanofi Paris.
    • 12:00-12:40: John Sausen Advancements in SFC separations and Ion Mobility Mass Spectrometry in support of highly Accurate Collision Cross Section.
    • 12:40-13:00: Concluding remarks. Ismael Zamora.
  • 13:00-14:00 – Lunch.
  • Organize trip to Rome at 15:00.

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