Roadmap and scientific output from the Open Force Field Initiative
Read about where we’re headed.
Roadmap Presentation at January 2019 Consortium Workshop [DOI]
Scientific Advisory Board
The Scientific Advisory Board provides valuable input to help guide the Open Force Field Initiative toward the most relevant engineering and science efforts that will empower members of the biomolecular simulation and force field development communities. The Board convenes two virtual meetings per year to advise on various aspects of the overall Initiative and receives invitations to join our two in-person meetings per year.
The current Scientific Advisory Board consists of scientists engaged within the force field development and biomolecular simulation software communities:
- David Case (Rutgers) [lab website]
- Teresa Head-Gordon (University of California, Berkeley) [lab website]
- Julia Rice (IBM Research)
- Sereina Riniker (ETH Zurich) [lab website]
- Benoît Roux [lab website]
- Carlos Simmerling (Stony Brook University) [lab website]
- Bill Swope (IBM Research)
- Junmei Wang (University of Pittsburgh) [lab website]
- Open Force Field Initiative: Fragmenting molecules for QC torsion drives, Chaya Stern, Chodera lab group meeting (webinar), Jun 4, 2019. YouTube
- Visit the January 2019 Consortium Workshop agenda page to view nine talks presented by Open Force Field Initiative PIs, postdocs, and students on current progress and plans of our collaboration. San Diego, CA; Jan. 7-8, 2019.
- Open Force Field Initiative: A brief update on our progress and plans, David Mobley, OpenEye MiniCUP Meeting, San Diego, CA, Oct. 2018.
- Open Force Field Initiative: The SMIRNOFF format and learned chemical perception, Caitlin Bannan, BioExcel Centre of Excellence for Computational Biomolecular Research webinar, Oct. 10, 2018. YouTube
- Read more about our proposal to extend our approach to complex heterogeneous biomolecular systems in our NIH Focused Technology Research & Development R01 proposal, submitted 5 Mar 2019: PDF
Property Calculator Meeting Summary
Posted on 23 May 2019 by Owen Madin and Jeff Wagner
Notes from 2019-05-23 meeting, focused on working with NIST and the ThermoML database
Torsion Datasets and Benchmarking Update
Posted on 16 May 2019 by Karmen Condic-Jurkic & Lee-Ping Wang
Update on dataset selection and QM level of theory used for generating initial torsion profiles
Torsion Meeting Summary (May 14, 2019)
Posted on 14 May 2019 by Karmen Condic-Jurkic and Jeffrey Wagner
Summary from torsion subgroup meeting on May 14, 2019
Property Calculator Meeting Summary (May 02, 2019)
Posted on 2 May 2019 by Karmen Condic-Jurkic, Owen Madin and Jeff Wagner
Summary from PropertyCalculator subgroup meeting on May 02, 2019