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Keywords: MD simulations
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Biochem Soc Trans (2016) 44 (4): 987–993.
Published: 15 August 2016
.... Aminoglycosides target ribosomes. We describe the interactions of aminoglycoside antibiotics containing a 2-deoxystreptamine (2-DOS) ring with 16S rRNA. We review the computational studies, with a focus on molecular dynamics (MD) simulations performed on RNA models mimicking the 2-DOS aminoglycoside binding site...
Biochem Soc Trans (2015) 43 (5): 1023–1032.
Published: 09 October 2015
... changes the transporter could be going through during the transport cycle. Crystal structures are inherently static, while a dynamic picture of the transporter in motion is needed for a complete understanding of transporter function. Molecular dynamics (MD) simulations and electron paramagnetic resonance...