Free Energy Perturbation (FEP): Another technique in the drug discovery toolbox
Introduction When I first started using CHARMM over 20 years ago as a PhD student, I regularly came across references ...
Cambridge, UK – 6th May 2014 – Cresset, innovative provider of computational chemistry software and services, announces the release of Blaze V10.2. This version of our unique virtual screening software contains major enhancements to the workflow that improves results and reduces the search time, a new REST interface to enable enhanced integration with third party software and an improved security system.
In addition, computational chemists will benefit from free access to a new, fully-functional Blaze Cloud demo server that demonstrates the simplicity of a Blaze virtual screening experiment. Blaze SaaS, provides the ability to search millions of commercially available compounds using an encrypted web browser session.
“Blaze uses the shape and electrostatic character of known ligands to rapidly search large chemical collections for highly diverse lead-like structures,” says Dr. Mark Mackey, Cresset’s CSO. “It is excellent for finding novel lead-like hits from known actives, replacing peptides with non-peptides or steroids with non-steroids.”
“This new release dramatically improves the speed and scope of Blaze, and includes enhanced integration and security in response to customer feedback,” says Dr. Tim Cheeseright, Director of Products at Cresset. “Blaze SaaS gives you a pay-as-you-go way to access Blaze via the cloud, from a web portal, without the need to invest in hardware. This is particularly useful for those customers who want immediate access to virtual screening with no capital or on-going infrastructure costs.”
Blaze V10.2 features: