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Journal of Chemical Information and Modeling|November 9, 2022
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at ScaleJoshua T Horton, Simon Boothroyd, Jeffrey Wagner, et al.Journal of Chemical Information and Modeling|November 26, 2022
Collaborative Assessment of Molecular Geometries and Energies from the Open Force FieldLorenzo D'Amore, David F Hahn, David L Dotson, et al.Journal of Chemical Theory and Computation|April 21, 2026
Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge ModelLily Wang, Irfan Alibay, Pavan Kumar Behara, et al.Journal of Chemical Theory and Computation|May 11, 2023
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force FieldSimon Boothroyd, Pavan Kumar Behara, Owen C Madin, et al.Journal of Chemical Information and Modeling|May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFEHannah M Baumann, Joshua T Horton, Michael M Henry, et al.The Journal of Chemical Physics|December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programsDaniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.Journal of Chemical Information and Modeling|June 20, 2025
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13Oleksandra Herasymenko, Madhushika Silva, Abd Al-Aziz A Abu-Saleh, et al.Journal of Chemical Information and Modeling|February 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery DataHugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, et al.Pageof 2