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Daniel L. Cheney

Bristol-Myers Squibb

53

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Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory.

2021 Journal of Chemical Physics
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Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles.

2021 Journal of Chemical Physics
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Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge

2020 Journal of Chemical Information and Modeling
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AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials

2020 Journal of Chemical Physics
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Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge

2020 ChemRxiv
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Neutral macrocyclic factor VIIa inhibitors.

2017 Bioorganic & Medicinal Chemistry Letters
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Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.

2017 ACS Medicinal Chemistry Letters
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The Surprising Importance of Peptide Bond Contacts in Drug-Protein Interactions

2017 Chemistry: A European Journal
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Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.

2016 Bioorganic & Medicinal Chemistry Letters
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Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors.

2016 ACS Medicinal Chemistry Letters
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