Description

ChemComp MOE is a molecular modeling, simulations, and machine learning software designed for pharmaceutical and biotechnology companies and academic institutions. It enables users to visualize proteins, patches, and interfaces, predict 3D protein structure from sequence, build DNA/RNA models, annotate 3D properties onto sequences, create and search protein family databases, mine structural data and analyze conserved residues, and generate clustered phylogenetic trees antibody and T-cell receptor (TCR) structural databases. Features include 3D molecular visualizations and simulations, ligand-based design, MOEsaic structure-activity relationship (SAR) exploration, PSILO molecular structure database, virtual screening, structural bioinformatics, cloud computing integrations, and third-party software integrations.