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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How the Conformational Movement of the Substrate Drives the Regioselective C–N Bond Formation in P450 TleB: Insights from Molecular Dynamics Simulations and Quantum Mechanical/Molecular Mechanical Calculations | Journal of the American Chemical
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Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions | Nature Communications
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Why Probability in Quantum Mechanics is Given by the Wave Function Squared – Sean Carroll