AI, Quantum-computer designed GlybatomaqTM small molecules. Evaluation of an Inverse Molecular Design Docking Algorithm Volum I

      Аннотация: AI, Quantum-computer designed GlybatomaqTM small molecules: GlybatomaqTM312317b: Ab initio Systematic Parameterization ofPolarizable Force Field Quantum Chemistry mechanics-based freeenergy perturbation methodologies for calculating relative solvation free energiesof a Novel Series of Supramolecular NanoLigands (NoSuNoLin) targeted to the ETS1, CASP8AP2 and FAS, LGI1, EPTP-ADAM22 Tudor domain of human PHF20-mediated Glioma and Glioblastoma cell apoptosis.

Ключевые слова: Keywords: Glioma., GLIOBLASTOMA, Ab initio, Systematic Parametrization, Polarizable Force Field, quantum chemistry, mechanics-based, free energy, solvation energy, computer aided molecular drug design, motif peptide, angiogenesis, endothelial cell motility, invasion