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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

(3)

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Working Paper

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AMBER18

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3 results in Keywords: AMBER18

Biological and Medicinal Chemistry

Simulating Water Exchange to Buried Binding Sites

Ido Ben-Shalom, charles Lin, Tom Kurtzman, ross walker, Michael Gilson

Version 1 posted 21 December 2018

1,018

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Theoretical and Computational Chemistry

Validation of AMBER/GAFF for Relative Free Energy Calculations

Lin Song, Tai-Sung Lee, Chun Zhu, Darrin M. York, Kenneth M. Merz Jr.

Version 1 posted 04 February 2019

1,810

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2

Citations

Theoretical and Computational Chemistry

Calculated hydration free energies become less accurate with increases in molecular weight

Version 1 posted 25 March 2024

184

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