Items where Author is "Cafiero, Dr Mauricio"

Cafiero, M. ORCID: https://orcid.org/0000-0002-4895-1783 (2024) Role of exact exchange and empirical dispersion in density functional theory-based three-body noncovalent interactions. Journal of Physical Chemistry A, 128 (40). pp. 8777-8786. ISSN 1089-5639 doi: 10.1021/acs.jpca.4c03262

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 and Medicinal Chemistry Letters, 88. 129286. ISSN 0960-894X doi: 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 2210-271X doi: 10.1016/j.comptc.2021.113208