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Theoretical and Computational Chemistry

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Pascal Merz

2 results in Authors: Pascal Merz

Theoretical and Computational Chemistry

Testing for Physical Validity in Molecular Simulations

Pascal T. Merz, Michael R. Shirts

Version 2 posted 24 July 2018

961

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Theoretical and Computational Chemistry

Leveraging a separation of states method for relative binding free energy calculations in systems with trapped waters

Swapnil Wagle, Pascal Merz, Yunhui Ge, Christopher Bayly, David Mobley

Version 2 posted 13 November 2024

401

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