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Conformational free-energy landscapes for a peptide in saline environments.
Biophys J. 2012 Dec 19;103(12):2513-20. doi: 10.1016/j.bpj.2012.11.001. Epub 2012 Dec 18.
Biophys J. 2012.
PMID: 23260053
Free PMC article.
Insights from molecular dynamics: the binding site of cocaine in the dopamine transporter and permeation pathways of substrates in the leucine and dopamine transporters.
Merchant BA, Madura JD.
Merchant BA, et al.
J Mol Graph Model. 2012 Sep;38:1-12. doi: 10.1016/j.jmgm.2012.05.007. Epub 2012 Jun 19.
J Mol Graph Model. 2012.
PMID: 23079638
Free PMC article.
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LeuT conformational sampling utilizing accelerated molecular dynamics and principal component analysis.
Thomas JR, Gedeon PC, Grant BJ, Madura JD.
Thomas JR, et al.
Biophys J. 2012 Jul 3;103(1):L1-3. doi: 10.1016/j.bpj.2012.05.002.
Biophys J. 2012.
PMID: 22828348
Free PMC article.
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