CM
Uploaded byCain Morano
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Qm Treatment AECOM Presentation
The document discusses a collaborative project aimed at understanding the electrostatics and thermodynamics of thrombin binding with various inhibitors, including quantum mechanical and molecular modeling techniques. It emphasizes the importance of enthalpy/entropy compensation in drug discovery and examines the strengths and weaknesses of different computational methods used in the analysis. The findings indicate potential for novel binding interactions and outline ongoing projects related to ligand synthesis and analysis.
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