Introducing: CompChem on Demand

Cresset is pleased to introduce a brand new way for scientists to outsource computational chemistry work with CompChem on Demand.  The program gives customers access to Cresset’s computational chemistry expertise through flexible service days, which can be used any time within a year of purchase without a major project commitment.  Customers benefit from expert CompChem resources and only pay for the days needed!

How does it work?

Simply select the number of service days you require (contact us if you’re not sure), pay up front and call us to arrange your CompChem days when you need them.  Service days can be used any time within one year of purchase, which provides the flexibility needed to accomodate limited budgets and ever-evolving projects.    Your CompChem can cover a wide variety of tasks, make use of all commercially available Cresset software and apply cutting edge in-house non-commercialized code and applications*.

The really exciting part

To close out 2011, we’re offering CompChem on Demand days at a low introductory rate of £995/$1495 per day- over 30% off the regular single day price!  Remember, days can be used any time in the next year, so even if your computational needs aren’t clear right now, purchasing the days ahead of time will save you money in the long term.  You can purchase computational chemistry service days at the discounted rate using the PayPal links below or contact us for more detailed service information.

Buy in GBP: £995/day >Buy in USD: $1495/day

What can you expect from a CompChem day?

The more time we have to work for you the greater the output,  however, we can get more done in a day than you’d think.   Take a look at the list below for some ideas of what  your CompChem can do for you in day:

  • A conformation search and a 3D alignment to a given 3D template
  • Initial SAR analysis
  • Conformational analysis of a 2D structure
  • Generation of a plausible 3D alignment template from 3 or more 2D structures
  • Creation of concise list of new ideas for your project using FieldStere
  • Analysis of a protein ligand complex
  • Extraction of related sequences and X-ray structures from the PDB and a 3D alignment
  • Iterative de-novo design and/or scaffold-hopping  from a given 3D template
  • Initial Peptidomimetic – protein-protein interaction ligand design from a given template
  • Annotated hand sequence alignment from a parent/target sequence to a family
  • Initial analysis of a protein family for feasibility of a targeted library design
  • Simple 3D QSAR analysis on an SAR series against a given 3D template
  • Optimization of a bound fragment into a larger molecule – guided by protein excluded volume
  • Optimization of chemistry geometry to join two bound fragments – guided by protein excluded volume
  • & much more!

Not sure how many days you need?  Contact us with your requirements and we’ll use our experience with past projects to  help you estimate.  And if the project looks like it’s growing, we’ll be happy to prepare a detailed quote for the expansion of the project at any time at no cost to you.

*Additional computational support of projects, such as carrying out virtual screening using Cresset’s FieldScreen service, will incur an additional charge