Computational Design and Data-Analysis

Through strategic alliances, Charnwood Molecular can become your comprehensive research partner providing expert computational design and synthesis services.

Computational Design and Analysis of large data sets has become a keystone within the drug discovery process, bridging the skills of biologists and chemists and helping to promote inter-disciplinary communication.

Virtual screening of compound collections (V-HTS) using a method utilizing molecular interaction fields (MIF) can provide meaningful starting points for Lead Generation and Library Design projects. The MIF based method uses ligand information only and thus requires no 3D-structure of a target protein.

Analysis and visualization of large data sets by using Self-Organizing Map (SOM) methods can help you to find patterns and similarities within your data. These methods allow you to harvest very large data sets and create small and diverse sub-sets that represent the initial large data set.

For further information, please click on the link below: