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Rapid parameterization of small molecules using the force field toolkit

Christopher G. Mayne, Jan Saam, Klaus Schulten, Emad Tajkhorshid, James Gumbart. Rapid parameterization of small molecules using the force field toolkit. Journal of Computational Chemistry, 34(32):2757-2770, 2013. [doi]

Authors

Christopher G. Mayne

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Jan Saam

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Klaus Schulten

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Emad Tajkhorshid

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James Gumbart

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