An atomic surface site interaction point description of non-covalent interactions MC Storer, KJ Zator, DP Reynolds, CA Hunter, Chem. Sci.2024, 15, 160 DOI: 10.1039/d3sc05690b
Ligand Profiling to Characterize Different Polymorphic Forms of α Synuclein Aggregates TS Chisholm, CA Hunter, J. Am. Chem. Soc.2023, 145, 27030 DOI: 10.1021/jacs.3c10521
Polarisation effects on the H-bond acceptor properties of secondary amides FE Hanna, AJ Root, CA Hunter, Chem. Sci.2023, 14, 11151 DOI: 10.1039/d3sc03823h
Replication of synthetic recognition-encoded oligomers by ligation of trimer building blocks D Núñez-Villanueva, CA Hunter, Organic Chemistry Frontiers2023, 10, 5950 DOI: 10.1039/d3qo01717f
Solvation rules: aromatic interactions outcompete cation–π interactions in synthetic host–guest complexes in water G Tobajas-Curiel, Q Sun, JKM Sanders, P Ballester, CA Hunter, Chem. Comm.2023, 59, 14146 DOI: 10.1039/d3cc04399a
Latest Publications
Prediction of Protein-Ligand Binding Affinities Using Atomic Surface Site Interaction Points KJ Zator, MC Storer, CA Hunter, Journal of chemical information and modeling2026, 66, 1097 DOI: 10.1021/acs.jcim.5c02628
Negative cooperativity in the formation of two H-bonds with an oxygen H-bond acceptor MC Misuraca, CA Hunter, Chemical Science2026, , DOI: 10.1039/d6sc01693f
Template-Directed Synthesis of Recognition-Encoded Melamine Oligomers Using a Base-Filling Strategy JT Smith, J Baixeras Buye, B Iddon, DO Soloviev, CA Hunter, J Am Chem Soc2025, 147, 18284 DOI: 10.1021/jacs.5c05681
