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  1. 1
    Development and Validation of the Quantum Mechanical Bespoke Protein Force Field

    Development and Validation of the Quantum Mechanical Bespoke Protein Force Field by Alice E. A. Allen, Michael J. Robertson, Michael C. Payne, Daniel J. Cole

    Published 2019-08-01
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    Article
  2. 2
    Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein–Ligand Interactions with Linear Response Theory

    Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein–Ligand Interactions with Linear Response Theory by Anthony J. Davolio, Wojciech J. Jankowski, Csilla Várnai, Benedict W. J. Irwin, Michael C. Payne, Pak-Lee Chau

    Published 2023-11-01
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    Article

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