Computational Chemistry / Cheminformatics

Structure-based Drug Design

• Homology modeling, molecular dynamics, docking/virtual screening
• Sybyl, VMD visualization

• CoMFA, Diverse Solutions (Library analysis)
• Physical property calculators (cLogP, cLogD, volume, surface area, bond counts, etc.)

• Solubility estimation, Caco-2 estimators, cLogP and cLogD

 

Pharmaron’s proprietary CEDAR™ (Chemical Exchange, Data Access and Recall) "web-base" helps our customers review and retrieve the data generated at Pharmaron in an organized, chemically-intelligent way. The web-based system provides secure, 24/7 access to project information such as experimental procedures, E-Notes™ pages generated by our ELN system, reaction schemes, and analytical data centered on chemical structures of target compounds and their intermediates.