The Applications and Toolkits 2021.2 Update Webinar, presented by Shyamal Nath, PhD, Head of Molecular Modeling at OpenEye, is now available for on-demand viewing.
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New Science and Improved Usability
In this on-demand webinar, we highlight the following updates in the latest OpenEye Applications and Toolkits 2021.2 release (as of January 25th, 2022):
SiteHopper is now available both as an application and toolkit. SiteHopper helps find proteins with similar binding sites, by comparing shape and chemical features, which searching by sequence similarity would overlook.
SAGE force field from OpenFF Initiative is now available in SZYBKI and FreeForm. Supported Force fields in SZYBKI now include OpenFF force fields Sage and Parsley, AMBER Protein force fields ff14SB and AMBER99, and MMFF94.
Pose prediction with POSIT is extended to generate multiple poses across multiple receptors
Extended file format flexibility with import and export of proteins and ligands, with OEChem now supporting the reading and writing of CIF/mmCIF files, the new default format from RCSB PDB