open force field

An open and collaborative approach to better force fields

October 19, 2022 Advisory Board Meeting

Posted on 19 Oct 2022 by Diego Nolasco

The Open Force Field Consortium Advisory Board met on October 19, 2022. The minutes are summarized as follows:

Welcome AstraZeneca

  • D. Nolasco announced the arrival of AstraZeneca representatives and all advisory board members made personal introductions. Our team remains diverse and rich in highly complementary skills.

Elections for the Governing Board

  • D. Nolasco announced the need to hold elections for the composition of the Governing Board. After consulting the Advisory Board via email, asking about candidacies, only Katharina Meier remained in the running on behalf of Bayer. Katharina was unanimously reappointed to the Governing Board.

OpenFF + Micaela Matta (King’s College London)

  • D. Mobley announced that we had helped Micaela Matta, from King’s College London, to submit a proposal in the UK for a joint doctoral fellowship with industry. Her original pitch was co-developed with Janssen and was approved for funding.

Lipid and/or nucleic acid force fields

  • D. Mobley announced that F. Pickard has a major need for better force fields for nucleic acids and lipids. He said that there may be interest from a number of players from the pharma industry to raise funds for us to work in this area. M. Shirts pointed out that this has always been on our roadmap, but for the future, so this would be a way to accelerate the OpenFF vision. The entire Advisory Board is in favor of the idea.

Pre-existing parameters for water models along with OpenFF

  • D. Mobley presented a topic proposed by M. Thompson about the possibility of distributing pre-existing parameters for any common water models/ions along with our FFs. The entire Advisory Board was supportive of the idea.