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Sampling Long Timescale Protein Motions: OSRW Simulation of Active Site Loop Conformational Free Energies in Formyl-CoA:Oxalate CoA Transferase
X-ray crystallographic snapshots have shown that conformational changes of a tetraglycine loop in the active site of formyl-CoA: oxalate CoA transferase (FRC) play an important role in the catalytic cycle of the enzyme. Orthogonal space random walk (OSRW) simulations have been applied to obtain quan...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2877758/ https://ncbi.nlm.nih.gov/pubmed/20446682 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja101446u |
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