"A fast SHAKE algorithm to solve distance constraint equations for small ..."

Vincent Kräutler, Wilfred F. van Gunsteren, Philippe H. Hünenberger (2001)

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DOI: 10.1002/1096-987X(20010415)22:5<501::AID-JCC1021>3.0.CO;2-V

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type: Journal Article

metadata version: 2020-04-01

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Vincent Kräutler, Wilfred F. van Gunsteren, Philippe H. Hünenberger:
A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations. J. Comput. Chem. 22(5): 501-508 (2001)

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