Selected Publications

  • RD Smith, J Lu, HA Carlson. Are there physicochemical differences between allosteric and competitive ligands? PLoS Comput. Biol. 2017, 13(11), e1005813.

  • P Ghanakota, HA Carlson. Comparing pharmacophore models derived from crystallography and NMR ensembles. J. Comput.-Aided Mol. Des. 2017, 31, 979-993.

  • J Lu, HA Carlson. ChemTreeMap: An interactive map of biochemical similarity in molecular datasets. Bioinformatics 2016, 32, 3584-3592.

  • P Ghanakota, HA Carlson. Moving beyond active-site detection: MixMD applied to allosteric systems. J. Phys. Chem. B 2016, 120, 8685-8695.

  • PMU Ung, P Ghanakota, SE Graham, KW Lexa, HA Carlson. Identifying binding hot spots on protein surfaces by mixed-solvent molecular dynamics: HIV-1 protease as a test case. Biopolymers 2016, 105, 21–34.

  • A Ahmed, RD Smith, JJ Clark, JB Dunbar Jr., HA Carlson. Recent improvements to Binding MOAD: a resource for protein–ligand binding affinities and structures. Nucl. Acids Res. 2015, 43, D465-D469.


Listing Row

Friday, October 3, 2014
Friday, October 3, 2014