Category: Product News

The latest Boltzmann Maps enhancements make it easier to apply insights from fragment data to chemical design.

BMaps now includes visualization of fragment map summaries for each fragment map available for a given protein. Map summaries show the highest affinity (lowest chemical potential) pose of a fragment at each site on a protein where the fragment binds.  This information is useful in identifying promising scaffold fragments or new sub-pockets to exploit.

Continue reading New: Fragment map summaries and more fragment libraries →

We are happy to announce that we have added fragment maps for over 70 unique proteins that are primary targets for ongoing, cutting edge research projects at top venture capitalist pharmaceutical companies. We looked into pharmaceutic/therapeutic companies from the most active pharmaceutical investors in recent years, such as OrbiMed Advisors, Novartis Venture Fund, RA Capital, etc.

Continue reading Top VC-funded drug targets now available in BMaps →

The BMaps web application now supports generating Boltzmann Water Maps on structures from the Protein Data Bank.

Maps of where water molecules bind to proteins are an important tool for drug designers to obtain insights about how bound waters may impact the binding affinity of their compounds. Water maps from simulations, unlike other methods, provide a reliable free energy ranking of affinity of waters, so weak versus strong binders can be distinguished.

Continue reading BMaps Web Application Now Supports Generating Boltzmann Water Maps →

BMaps version 1.0 is now released at the boltzmannmaps.com website, launching the first Web-based fragment-based design application using Boltzmann Maps.

The BMaps Web application introduces fragment-based design based on Boltzmann fragment maps to a world-wide audience. A web application for in silico drug design, BMaps is a large software package that runs in your web browser, supported by AWS cloud-hosted data management and computational resources.

Continue reading Boltzmann Maps Announces Release of BMaps Version 1.0 →