Join us for the miniWebinar "What’s New in 2022.2 Applications/Toolkits Release" presented by Shyamal Nath, PhD, Scientific Software Director at OpenEye, Cadence Molecular Sciences.
OpenEye, Cadence Molecular Sciences 2022.2 Applications and Toolkits release provides a broader range of modeling tools to meet the most challenging drug discovery projects. Major enhancements were made to OMEGA, POSIT, SZYBKI, and BROOD.
The presentation will include:
The ability to choose part of a molecule, based on maximum common subgraph (MCS), to be fixed during conformer generation now is available with OMEGA
The introduction of a modified algorithm for the ShapeFit technology in POSIT allows multiple pose generation and use of different force fields
The optimization of protein-ligand complexes with the FF14SB-Sage force field and implicit Poisson-Boltzmann (PB) solvation model now is available in SZYBKI
The introduction of new fragment databases for BROOD that are based on the latest version of ChEMBL