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

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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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