CLC bio, a QIAGEN Company, has announced a new release of CLC Drug Discovery Workbench, an enterprise drug-design platform for medicinal and computational scientists.
The software, which is available for Windows, Linux, and Mac OS X, offers access to atomic level insights in protein-ligand interaction, and allows new ideas for improved binders to be quickly tested and visualised.
New feature highlights in version 2.0:
Homology modelling - A new homology modelling tool makes it possible to go from amino acid sequence to structure model in two steps.
Single point mutations - Amino acids can now be mutated or repaired in the 3D view of the protein structure.
Constraints in Ligand Optimizer tool - This enables optimisation of covalently bound ligands while preserving well-established binding interactions.
Integrated sequence and structure analysis - Protein 3D structures can now be linked to sequences or sequence alignments, and annotations can be transferred between sequence and 3D structure.
CLC Drug Discovery Workbench is available for a free trial for new customers which can be found on the company’s website.
