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Application Filter: Water Analysis

Flare™ V12 released: Significant improvements to FEP calculations and structure-based methods
We are pleased to announce the release of Flare V12, which introduces a range of new capabilities and enhancements aimed at improving the efficiency,...
Water Analysis
Understand hydration patterns at the binding site of a target to guide ligand design
Water Analysis
Analyzing binding‑site waters to reveal insights for your inhibitor design
Macrocycle inhibitor BRD-810 binding site exploration, preparation and drug design using Flare™ water analysis 3D-RISM
In this blog I will show the value of using 3D-RISM1 a Flare water analysis tool, to analyze a macrocycle inhibitor bound to the active site of human...