January 2014 newsletter

Electrostatic environments around charged molecules: part 2 – dealing with proteins

Mark Mackey, our CSO, continues his article from last month by looking at using the same calculations to place a field on a protein. A couple of methods are discussed in order to find out how we can best generate field patterns for protein active sites. Read the article.

Focused screening library design

Discover an approach we have used successfully for the design of ‘focussed screening libraries’. Martin, our Director of Consulting Services, explains how we can help you enhance your expertise. Read the article.

Field Based Chemistry 2014

We’re finalizing the scientific programs for our North America and European user meetings. If you would like the opportunity to present please submit your abstract by February 28th. Workshops offering an introduction to Cresset software are available at both events. See details and register free at:

Advanced training for computational chemists

A one day advanced software training course will be held on June 18th at our training suite near Cambridge, UK. Aimed at computational chemists with some experience of Cresset software, the training will cover:

  • Finding detailed models of 3D binding sites using FieldTemplater
  • Developing reliable 3D-QSAR models
  • Analyzing selectivity with Activity Miner
  • Using available reagents to guide synthetic chemistry
  • Using multiple references to merge series or grow fragments
  • Developing internal fragment and reagent databases

Places are limited so please register early to avoid disappointment. See full details.

International Symposium on Compound Design Technologies

Guiding better decisions in drug discovery and development. March 19th, Tokyo and March 20th, Osaka. See full details and register free.

Webinar: Deciphering SAR around aromatics

March 25th. The first in a series of weinbars. During this webinar we will discuss ‘Deciphering SAR around aromatics’. Register free.