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Journal Abstract Search
207 related items for PubMed ID: 23289945
21. Accurate assessment of the strain energy in a protein-bound drug using QM/MM X-ray refinement and converged quantum chemistry. Fu Z, Li X, Merz KM. J Comput Chem; 2011 Sep; 32(12):2587-97. PubMed ID: 21598285 [Abstract] [Full Text] [Related]
22. Hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Simulation: A Tool for Structure-Based Drug Design and Discovery. Kulkarni PU, Shah H, Vyas VK. Mini Rev Med Chem; 2022 Sep; 22(8):1096-1107. PubMed ID: 34620049 [Abstract] [Full Text] [Related]