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Free energy perturbation (FEP) ab initio quantum mechanics (QM) methods weredeveloped for treating the solute molecules and molecular mechanics (MM) fortreating the surroundings. Nano-ligand targeted the ETS1, CASP8AP2 and FAS, LGI1, EPTP-ADAM22 Tudor domain of human PHF20-mediated Glioma and Glioblastoma cell apoptosis: A Computational Quantum Optimized Lennard-Jones Parameters for Drug-Like GlybatomaqTM SmallMolecules Particle Swarm Bayesian nonlinear Pharmacophoric-ODDDQMMMEs merging algorithmic formulations of the extended lagrangian QM/p¿MM:
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