Webinar: Applications and Toolkits 2020.2 Update

Posted by OpenEye Scientific on Jan 22, 2021 1:19:31 PM

Watch "Applications and Toolkits 2020.2 Update,"  with Shyamal Nath, PhD, Head of Molecular Modeling at OpenEye, and learn about recent key improvements in the latest release including: 

  • New Fragment Library created for OMEGA
    Designed to reduce the run-time of large-scale conformer generation, the enhanced fragment library, consisting of more than 500,000 fragments, shows a dramatic increase in OMEGA run-time performance while generating the same high-quality conformers as the previous version 

  • Improved Receptors in OEDOCKING
    Receptors are now an integral part of the Design units, taking full advantage of the protein structures prepared using SPRUCE. This feature facilitates the easier use of docked and posed structures in downstream modeling applications.

  • New Protein Force Field in SZYBKI
    The AMBER FF14SB protein force field, the most widely used protein force field for molecular dynamics or any other force-field based calculations, now is available in SZYBKI for optimizing both protein and protein-ligand complexes
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