Open Force Field Initiative
Published May 14, 2023 | Version v1
Presentation Open

2023 OpenFF Annual Meeting - Optimizing molecular mechanics force fields in chemical space using binary-encoded SMARTS

Authors/Creators

  • 1. Mobley Lab, UC Irvine

Description

Optimizing molecular mechanics force fields in chemical space using binary-encoded SMARTS

Trevor Gokey

Mobley Lab, UC Irvine

This is a presentation from the second day of the 2023 OMSF Symposium in Boston, which ran as a hybrid in-person/virtual event.

https://youtu.be/w_aRVy4QN-w

Notes

Research supported by NIH R01 GM132386

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OMSF_2023_Trevor_Gokey.pdf

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