Drug discovery software developer Optibrium Ltd has released the latest version of StarDrop, its comprehensive software platform for small-molecule design, optimization and data analysis. StarDrop 7.1 further expands the platform’s 3D ligand-based design capabilities, providing access to high-performance methods for virtual screening and intuitive compound design in discovery projects where little or no structural information on targets is available.

The expansion is a result of the recently announced collaboration between BioPharmics LLC and Optibrium. Developed by BioPharmics, software tools for comparisons of electrostatic fields with molecular surface-shapes and directional hydrogen-bonding preferences (eSim) and conformational search (ForceGen) will be directly available to Optibrium’s global user base, enabling computational and experimental chemists direct use of expert 3D design tools in a user-friendly interface.

Available as an optional module, Surflex eSim3D seamlessly integrates with StarDrop’s compound optimization and data analysis capabilities, helping to target high-quality compounds with an optimal balance of activities and key ADMET properties with the aim of leading to better compounds faster.