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Enzyme Selectivity of HIV Reverse Transcriptase: Conformations, Ligands, and Free Energy Partition

Atomically detailed simulations of HIV RT are performed to investigate the contributions of the conformational transition to the overall rate and specificity of enzyme catalysis. A number of different scenarios are considered within Milestoning theory to provide a more complete picture of the proces...

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Detalhes bibliográficos
Publicado no:J Phys Chem B
Main Authors: Kirmizialtin, Serdal, Johnson, Kenneth A, Elber, Ron
Formato: Artigo
Idioma:Inglês
Publicado em: 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4623308/
https://ncbi.nlm.nih.gov/pubmed/26225641
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.5b05467
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