About FragMAX Project

Pharmaceutical research is directed towards developing new drugs as a major resource for public health. Fragment screening is one extremely powerful tool within the drug discovery process chain, which can be used to probe functional surfaces of target proteins. Our goal is to establish a modular screening platform (FragMAX) at BioMAX and two provide the competence and capacity for running all its constituent steps. This includes the constant development and provision to users of our own fragment library, FragMAXlib, as well as creating the technology base for sample soaking, co-crystallization and efficient harvesting of crystals. Industry and academia can enter at various points, guided by the expertise provided by FragMAX and take advantage of the experimental capacity at BioMAX established within this project, which runs in close collaboration with Astra Zeneca and SARomics BioStructures as well as together with the Lund Protein Production platform (LP3).

Fragment Library

Currently, FragMAX offers support for on-demand commercial libraries or user libraries for fragment screening campaigns. A featured fragment library is currently in development stage with our partners and will be available for users in the future.

Data processing

All data collect during FragMAX experiments can be processed at MAX IV HPCs. Automated processing pipelines are implemented to provide ease access to data and analysis tool. After experiment visit, access through VPN to MAX IV system is possible.

Pandda analsysis is also available results can be visualised within the WebApp.

FragMAX user facility

FragMAX offers aided crystal harvesting with Crystal Shifter (OLT) integrated with our sample submission system (ISPyB) and data visualisation tool (FragMAX webapp).

During experiments at MAX IV, users can benefit from our facility and tools, such as High-Performance Computers,  Pucks and Loops.

 

 

 

 

 

 

 

 

 

 

 

Project management

FragMAX provides an interactive WebApp for data visualisation and data processing. Within this tool, users can select which processing pipeline will run for the data, with auto ligand fitting options and in-browser electron density visualisation.

FragMAX contact

  • name Gustavo Lima
    mail
  • name Uwe Müller
    mail