Electrostatic Channeling in P. falciparum DHFR-TS: Brownian Dynamics and Smoluchowski Modeling

We perform Brownian dynamics simulations and Smoluchowski continuum modeling of the bifunctional Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (P. falciparum DHFR-TS) with the objective of understanding the electrostatic channeling of dihydrofolate generated at the TS active sit...

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Bibliographic Details
Published in:Biophys J
Main Authors: Metzger, Vincent T., Eun, Changsun, Kekenes-Huskey, Peter M., Huber, Gary, McCammon, J. Andrew
Format: Artigo
Language:Inglês
Published: The Biophysical Society 2014
Subjects:
Proteins and Nucleic Acids
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC4241442/
https://ncbi.nlm.nih.gov/pubmed/25418308
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2014.09.039
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