News

August 2019 newsletter

FEP in Flare sneak peekSneak peek at Flare V3.0 for structure-based design

Giovanna Tedesco gives a sneak peek at some of the new functionality in Flare V3, including: Free Energy Pertubation (FEP) and template docking.

Paolo presenting at ACS San Diego 2019


Presentations and poster from 258th ACS Meeting

746x486_thumbnail__Ribbon for the crystal structure 5yql human sirtuin-2


Alzheimer's disease: Modeling current and potential targets

By the time we are 65, one in ten of us will have Alzheimer’s disease. There are only four FDA approved drugs for the alleviation of the symptoms but none that actually treat the disease. Andy Smith explains how computational chemistry is a valuable resource in helping to characterize and understand new protein targets.


PickR™: Diverse R-groups for library design

Introduction to PickR™, a command line monomer selection tool for library design. See how PickR will efficiently select the best sub-set of monomers based on electrostatic and shape diversity in 3D.


Upcoming events in September

  • 2 - 3, 2nd RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry, UK
  • 1 - 5 EFMC International Symposium on Advances in Synthetic and Medicinal Chemistry, Greece
    • Meet us at stand 1 for an overview of Torx™, a next generation platform for small molecule discovery focused on team working and collaboration
  • 4 - 6, 7th Annual CCPBioSim Conference - Frontiers in Biomolecular Simulation, UK
  • 8 - 11, 20th SCI/RSC Medicinal Chemistry Symposium, UK
    • Meet us at stand D for a demonstration of Torx™, a next generation platform for small molecule discovery focused on team working and collaboration
  • 11, Redefining Early Stage Investments (RESI), US
  • 25, Chemistry Networks: Focus on AI and Machine Learning, UK
  • 25 - 27, 8th RDKit User Group Meeting, Germany
  • 25 - 26, 19th Annual Biotech in Europe Forum, Switzerland
  • 26, UK QSAR Autumn Meeting, UK

Try Cresset solutions on your project

Request a free software evaluation