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Cluster analysis of molecular simulation trajectories for systems where both conformation and orientation of the sampled states are important

Tigran M. Abramyan, James A. Snyder, Aby A. Thyparambil, Steven J. Stuart, Robert A. Latour. Cluster analysis of molecular simulation trajectories for systems where both conformation and orientation of the sampled states are important. Journal of Computational Chemistry, 37(21):1973-1982, 2016. [doi]

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