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:
Book Details: |
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ISBN-13: |
978-613-8-91672-7 |
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ISBN-10: |
6138916727 |
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EAN: |
9786138916727 |
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Book language: |
English |
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By (author) : |
ioannis Grigoriadis |
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Number of pages: |
444 |
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Published on: |
2019-10-28 |
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Category: |
Pharmacy |