Pathways for Conformational Change in Nitrogen Regulatory Protein C from Discrete Path Sampling

Pathways corresponding to the conformational change in nitrogen regulatory protein C are calculated using the CHARMM19 force field with an implicit solvation model. Our analysis employs the discrete path sampling approach to grow a database of local minima and transition states from the potential en...

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Veröffentlicht in:	The journal of physical chemistry. B 2008-02, Vol.112 (8), p.2456-2465
Hauptverfasser:	Khalili, Mey, Wales, David J
Format:	Artikel
Sprache:	eng
Schlagworte:	Crystallography, X-Ray Models, Molecular PII Nitrogen Regulatory Proteins - chemistry Protein Structure, Secondary Solvents - chemistry Thermodynamics
Online-Zugang:	Volltext
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