Christopher A. Reynolds

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Deganutti G, Pipito L, Rujan RM, et al. (2025) Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD). Elife. 13
Reeder BJ, Deganutti G, Ukeri J, et al. (2024) The circularly permuted globin domain of androglobin exhibits atypical heme stabilization and nitric oxide interaction. Chemical Science. 15: 6738-6751
Piper SJ, Deganutti G, Lu J, et al. (2022) Understanding VPAC receptor family peptide binding and selectivity. Nature Communications. 13: 7013
Pipitò L, Reynolds CA, Mobarec JC, et al. (2022) A Pathway Model to Understand the Evolution of Spike Protein Binding to ACE2 in SARS-CoV-2 Variants. Biomolecules. 12
Deganutti G, Atanasio S, Rujan RM, et al. (2021) Exploring Ligand Binding to Calcitonin Gene-Related Peptide Receptors. Frontiers in Molecular Biosciences. 8: 720561
Dong M, Deganutti G, Piper SJ, et al. (2020) Structure and dynamics of the active Gs-coupled human secretin receptor. Nature Communications. 11: 4137
Hendrikse ER, Liew LP, Bower RL, et al. (2020) Identification of Small-Molecule Positive Modulators of Calcitonin-like Receptor-Based Receptors. Acs Pharmacology & Translational Science. 3: 305-320
Liang YL, Belousoff MJ, Fletcher MM, et al. (2020) Structure and Dynamics of Adrenomedullin Receptors AM and AM Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins. Acs Pharmacology & Translational Science. 3: 263-284
Dong M, Harikumar KG, Raval SR, et al. (2020) Rational development of a high-affinity secretin receptor antagonist. Biochemical Pharmacology. 113929
Deganutti G, Moro S, Reynolds CA. (2020) A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein Unbinding. Journal of Chemical Information and Modeling