Impact of Ribosomal Modification on the Binding of the Antibiotic Telithromycin Using a Combined Grand Canonical Monte Carlo/Molecular Dynamics Simulation Approach

Meagan C. Small; Pedro Lopes; Rodrigo B. Andrade; Alexander D. MacKerell Jr

doi:10.1371/journal.pcbi.1003113

Loading metrics

Open Access

Peer-reviewed

Research Article

Impact of Ribosomal Modification on the Binding of the Antibiotic Telithromycin Using a Combined Grand Canonical Monte Carlo/Molecular Dynamics Simulation Approach

Meagan C. Small,

Affiliation Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland, United States of America
⨯
Pedro Lopes,

Affiliation Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland, United States of America
⨯
Rodrigo B. Andrade,

Affiliation Department of Chemistry, Temple University, Philadelphia, Pennsylvania, United States of America
⨯
Alexander D. MacKerell Jr

* E-mail: alex@outerbanks.umaryland.edu

Affiliation Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland, United States of America
⨯

Impact of Ribosomal Modification on the Binding of the Antibiotic Telithromycin Using a Combined Grand Canonical Monte Carlo/Molecular Dynamics Simulation Approach

Meagan C. Small,
Pedro Lopes,
Rodrigo B. Andrade,
Alexander D. MacKerell Jr

Published: June 13, 2013
https://doi.org/10.1371/journal.pcbi.1003113

About the Authors

Meagan C. Small

Affiliation Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland, United States of America

Pedro Lopes

Affiliation Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland, United States of America

Rodrigo B. Andrade

Affiliation Department of Chemistry, Temple University, Philadelphia, Pennsylvania, United States of America

Alexander D. MacKerell Jr

* E-mail: alex@outerbanks.umaryland.edu

Affiliation Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland, United States of America

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: RBA ADM. Performed the experiments: MCS PL ADM. Analyzed the data: MCS PL RBA ADM. Contributed reagents/materials/analysis tools: MCS PL ADM. Wrote the paper: MCS PL RBA ADM.

Subject Areas
?

For more information about PLOS Subject Areas, click here.
We want your feedback. Do these Subject Areas make sense for this article? Click the target next to the incorrect Subject Area and let us know. Thanks for your help!

Ribosomes
Is the Subject Area "Ribosomes" applicable to this article?

Thanks for your feedback.
Hydrogen bonding
Is the Subject Area "Hydrogen bonding" applicable to this article?

Thanks for your feedback.
Crystal structure
Is the Subject Area "Crystal structure" applicable to this article?

Thanks for your feedback.
Methylation
Is the Subject Area "Methylation" applicable to this article?

Thanks for your feedback.
Antibiotics
Is the Subject Area "Antibiotics" applicable to this article?

Thanks for your feedback.
Probability distribution
Is the Subject Area "Probability distribution" applicable to this article?

Thanks for your feedback.
Antibiotic resistance
Is the Subject Area "Antibiotic resistance" applicable to this article?

Thanks for your feedback.
Drug interactions
Is the Subject Area "Drug interactions" applicable to this article?

Thanks for your feedback.