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Discovery Phase: Target Validation

Water Analysis
Understand hydration patterns at the binding site of a target to guide ligand design
Molecular Dynamics Simulations
Study the conformational changes of proteins and assess the stability of protein-ligand complexes
Protein analysis
Maximize the information from your crystal structure, molecular dynamics and pocket detection
Protein modeling
Create accurate models of protein structures and understand binding mechanisms
Gain essential insights into druggability
Build accurate models to identify and triage binding pockets