Ensemble refinement of protein crystal structures in PHENIX
Ensemble refinement of protein crystal structures in PHENIX
Ensemble refinement of protein crystal structures in PHENIX
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Development <strong>of</strong> ensemble <strong>ref<strong>in</strong>ement</strong> <br />
• <strong>PHENIX</strong> <br />
• Time-‐averaged x-‐ray restra<strong>in</strong>ed MD <br />
• TLS fiOng <br />
• Explicit-‐ and bulk-‐ solvent model <br />
• Maximum-‐likelihood target func.on