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Items where Author is "Cafiero, Dr Mauricio"

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Article

Schulze, C. A. E. and Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 (2024) Pairwise additivity and three-body contributions for Density Functional Theory-based protein-ligand interaction energies. Journal of Physical Chemistry B, 128 (10). pp. 2326-2336. ISSN 1520-5207 doi: https://doi.org/10.1021/acs.jpcb.3c07456

Harle, J., Slater, C. and Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 (2023) Investigating paracetamol's role as a potential treatment for Parkinson's Disease: ab initio analysis of dopamine, L-DOPA, paracetamol, and NAPQI interactions with enzymes involved in dopamine metabolism. ACS Omega, 8 (41). pp. 38053-38063. ISSN 2470-1343 doi: https://doi.org/10.1021/acsomega.3c03888

Hatstat, A. K., Kennedy, G. M., Squires, T. R., Xhafkollari, G., Cochrane, C. S., Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 and Peterson, L. W. (2023) Synthesis and analysis of novel catecholic ligands as inhibitors of catechol-O-methyltransferase. Bioorganic & Medicinal Chemistry Letters, 88. 129286. ISSN 0960-894X doi: https://doi.org/10.1016/j.bmcl.2023.129286

Safarian, D., Simons, M., Evans, R. G., Peterson, L. W. and Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 (2021) DFT study of ligand binding in the β1 adrenergic receptor. Computational and Theoretical Chemistry, 1199. 113208. ISSN 2210271X doi: https://doi.org/10.1016/j.comptc.2021.113208

This list was generated on Thu May 23 00:52:59 2024 UTC.

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