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https://doi.org/10.60893/figshare.jcp.25908691
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posted on 2024-06-25, 11:53
authored by
Yunlin Zeng
,
Anna Pavlova
,
Philip Nelson
,
Zachary Glick
,
Lan Yang
,
Yui Tik Pang
,
Mariano Spivak
,
Giuseppe Licari
,
Emad Tajkhorshid
,
C. David Sherrill
,
James Gumbart
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Broadening access to small-molecule parameterization with the Force Field Toolkit
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Chemical sciences
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force fields
MD simulations
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