Cresset Flare is a cutting-edge software in the field of drug design and computational chemistry. Cresset Flare software enables scientists and researchers to identify and design novel molecules with desirable properties, and by using sophisticated algorithms and accurate modeling,

it helps researchers accelerate the drug discovery process and reduce its costs. Flare users, typically computational and medicinal chemists in the pharmaceutical, biotechnology, academic, and other industries, value the platform as their computational toolbox. The software allows them to examine the details of their ligand-protein complexes using a variety of methods to gain useful insights into their protein targets and ligand series.

As the most complete software package, both ligand-based and structure-based drug designers are confidently supported to advance their lead optimization. By carefully examining a wide range of ideas and applying a range of methods, a large number of molecules can be reduced to a small set and only the best molecules are delivered for laboratory testing.

The result is not only a significant reduction in time, energy and laboratory resources, but also the highest chance of success in later-stage drug development.

Ligand-based drug designers use Flare to closely examine, compare and prioritize their molecules based on shape, electrostatics and binding activity. Using powerful QSAR models that predict the activity and ADMET properties of new compounds, users can build confidence and understanding across the full spectrum of leads.

Cresset BMD Flare 10.0 Key Software Features

• FieldPoint: This feature allows users to accurately simulate molecular interactions using electrostatic and van der Waals fields. This feature is very useful for designing molecules that specifically interact with a biological target.
• Shape Signatures: This feature allows users to quantitatively compare the shapes of molecules and identify molecules with similar shapes. This feature is very useful for designing molecules that can replace known bioactive molecules.
• Electrostatic Complementarity: This feature allows users to optimize electrostatic interactions between molecules and identify molecules with high electrostatic complementarity. This feature is very useful for designing enzyme inhibitors.
• Pharmacophore Modeling: This feature allows users to identify common structural features between bioactive molecules and use this information to design new molecules.
• Virtual Screening: This feature allows users to identify molecules with potential biological activity from a large library of molecules.
• Ligand-Based Design: This feature allows users to design new molecules with similar activity using structural information from a known ligand.
• Structure-Based Design: This feature allows users to use structural information of a biological target to design molecules that specifically interact with that target.

Cresset BMD Flare 10.0 Software applications

• Designing new drugs: The software helps researchers design new molecules with desirable pharmaceutical properties.
• Optimization of existing molecules: The software helps researchers improve the pharmaceutical properties of existing molecules.
• Identifying new drug targets: The software helps researchers identify new drug targets.
• Understanding drug mechanisms of action: The software helps researchers understand drug mechanisms of action at the molecular level.