May 2017 newsletter

Last chance to register for The Cresset User Group Meeting

Register by 16th June to secure your place at our 15th Anniversary User Group Meeting.

  • June 29th, Scientific program
    • Official launch of Flare, our new structure-based design application
    • Update on science and ligand-based design applications
    • Customers share their experience of Cresset technology
    • Limited accommodation available at The Møller Centre
  • June 30th, Hands-on software workshops. Limited spaces remain for the following workshops:
    • Introduction to Flare for computational chemists
    • Introduction to Flare for medicinal and synthetic chemists
    • 3D-QSAR
    • Torch

Water stability is key to designing novel patentable chemistry

Read about how Cresset Discovery Services informed the design of novel ligands for a customer target, which led to patent.

Help with writing your grant application

See how we can help before you even start writing your grant application.

What can Torch do for you that TorchLite can’t?

We hope you enjoy using TorchLite, our freeware 3D molecule viewer, editor and design tool, but did you know how much more you can do with the full power of Torch?

Web clips

We’ve added to our GUI tips and tricks with the following tutorials, which use TorchLite, our free powerful 3D molecule viewing, editing and design application.

  • Structural changes and fields
  • Visualizing field changes to understand SAR

Electrostatics of heterocyclic rings and the Topliss tree

TorchLite has been used to illustrate 2D structures next to their 3D charge distribution patterns. Download the following illustrations:

  • Electrostatics of heterocyclic rings
  • Electrostatics of the Topliss Tree

February 2017 newsletter

Case study: Conduct ligand-protein docking

Find out how we conducted ligand-protein docking to narrow down a 50k compound library to the best 1.5k compounds at a fraction of the cost of buying and screening the entire 50k library.

RDKit molecular simulations through OpenMM

Paolo Tosco describes how RDKit is used in Cresset software and presents preliminary work on boosting RDKit molecular simulations through OpenMM.

Web clip tips and tricks

  • Changing preferred alignments
  • Importing pre-existing conformations
  • Using Tags to organize data sets

See more tips and tricks.

Flexible licensing terms for academics

Cresset support the academic community through flexible licensing terms. Licenses have been created specifically to facilitate academic research and teaching within a university.

Cresset User Group Meeting, 29-30 June – workshop spaces limited

The day after the scientific program we will hold hands-on software workshops – spaces are limited so early registration is encouraged.