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Molecular BioSystems

Research at the interface of chemistry and biology: chemical biology, -omics sciences and systems biology.


Quantum clustering and network analysis of MD simulation trajectories to probe the conformational ensembles of proteinligand interactions

Corresponding authors
Molecular Biophysics Unit, Indian Institute of Science, Bangalore-560012, India
E-mail: sv@mbu.iisc.ernet.in
Mol. BioSyst., 2011,7, 2320-2330

DOI: 10.1039/C1MB05038A
Received 31 Jan 2011, Accepted 03 May 2011
First published online 27 May 2011
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Supplementary Info