open force field

An open and collaborative approach to better force fields


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).

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 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.

Webinar by Chaya Stern: Fragmenting molecules for QC torsion drives (Jun 4, 2019)

Posted on 24 May 2019 by Karmen Condic-Jurkic and Chaya Stern

Chaya Stern gives a webinar about her work done on molecular fragmentation and torsion drive pipeline on Jun 4 at 11 am (EDT)