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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