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"Efficient Calculation of Molecular Properties from Simulation Using Kernel ..."
W. Michael Brown et al. (2008)
- W. Michael Brown, Ariella Sasson, Donald R. Bellew, Lucy A. Hunsaker, Shawn Martin, Andrei Leitão, Lorraine M. Deck, David L. Vander Jagt, Tudor I. Oprea:
Efficient Calculation of Molecular Properties from Simulation Using Kernel Molecular Dynamics. J. Chem. Inf. Model. 48(8): 1626-1637 (2008)
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