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Open Force Field Consortium Virtual Meeting

Posted on 23 Apr 2020 by Karmen Condic-Jurkic

The Third Open Force Field Consortium Workshop in Zoomverse on May 4-5, 2020.


Open Force Field Initiative receives NIH funding

Posted on 6 Apr 2020 by Michael Shirts

Open Force Field Initiative receives NIH funding


The Third Open Force Field Consortium Workshop

Posted on 25 Feb 2020 by Karmen Condic-Jurkic

The Third Open Force Field Consortium Workshop in Boston on May 4-5, 2020.


Webinar by Andreas Krämer: Automated Optimization Approaches for the CHARMM Lipid Force Field (Dec 17, 2019)

Posted on 2 Dec 2019 by Karmen Condic-Jurkic

Andreas Krämer will talk about automated optimization of the CHARMM36 lipid force field on Dec 17 at 2 pm (ET).


The Open Force Field 1.0 small molecule force field, our first optimized force field (codename "Parsley")

Posted on 10 Oct 2019 by David Mobley, Yudong Qiu, Simon Boothroyd, Lee-Ping Wang, and John Chodera

At the end of our first year, the Open Force Field Consortium releases its first optimized force field: the Open Force Field 1.0 (codename “Parsley”) small molecule force field


Webinar by Yuanqing Wang: Graph Nets for partial charge prediction (Oct 14, 2019)

Posted on 4 Oct 2019 by Karmen Condic-Jurkic

Yuanqing Wang (MSKCC) will talk about his ongoing work on applying machine learning techniques for fast prediction of atomic charges on Oct 14 at 1 pm (ET).


Webinar by Falk Hoffmann: Using NMR relaxation data to improve the dynamics of methyl groups in AMBER and CHARMM force fields (Sep 20, 2019)

Posted on 5 Sep 2019 by Karmen Condic-Jurkic

Falk Hoffmann will give a webinar on Sep 20 at 11 am (EDT) about his recent study on methyl group dynamics in amino acid side-chains using MD simulations and NMR relaxation rates


Webinar by Chuan Tian: ff19SB - Amino acid specific protein backbone parameters trained against quantum mechanics energies in solution (Sep 12, 2019)

Posted on 3 Sep 2019 by Karmen Condic-Jurkic

Chuan Tian presents his work on the latest version of Amber force field (ff19SB) at 1 pm (ET) on Sep 12


Webinar by Pankaj R. Daga: Data Curation - The Forgotten Practice in The Era of AI (Sep 13, 2019)

Posted on 19 Aug 2019 by Karmen Condic-Jurkic

Pankaj R. Daga will give a talk at UC Irvine on Sep 13 at 11 am (PT) about importance of data curation in the age of AI


Webinar by Vytautas Gapsys: Benchmarking binding free energy calculations for protein-ligand systems (Aug 21, 2019)

Posted on 19 Aug 2019 by Karmen Condic-Jurkic

Vytautas Gapsys will give a talk at UC Irvine on Aug 21 at 11 am (PT) on his work on binding free energy calculations.