Quantum Mechanical Calculations Suggest That Lignin Polymerization Is Kinetically Controlled | Biological and Medicinal Chemistry | ChemRxiv | Cambridge Open Engage
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Genetic algorithms coupled with quantum mechanics for refinement of force fields for RNA simulation: a case study of glycosidic torsions in the canonical ribonucleosides - Physical Chemistry Chemical Physics (RSC Publishing)
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FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method | Journal of Chemical Information and Modeling
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Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions | Nature Communications
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Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A - Chemical Science (RSC Publishing)
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