Reassigning the structures of natural products using NMR chemical shifts computed with quantum mechanics: A laboratory exercise TA Palazzo, TT Truong, SMT Wong, ET Mack, MW Lodewyk, JG Harrison, ... Journal of Chemical Education 92 (3), 561-566, 2015 | 17 | 2015 |
Critical assessment of the performance of automated pharmacophore hypotheses derived from series of ligands and protein-ligand complexes E Mack, M Landon, S Dixon, M Repasky ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
Evaluating use of tens to hundreds of active ligands in pharmacophore hypothesis perception E Mack, S Dixon, C Von Bargen, M Repasky ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
Evaluation of the virtual screening performance and core-hopping potential of common pharmacophore hypotheses derived from phase's novel pharmacophore feature-based shape alignment M Repasky, S Dixon, E Mack, W Duncan, C Von Bargen ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
Modeling the field enhancement of metallic nanostructures using the FDTD method ET Mack, Z Gorunmez, LB Sagle, TL Beck ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | | 2014 |
Quantifying the nature of sulfur lone pair interactions ET Mack, BM Hudson, DJ Tantillo ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014 | | 2014 |
Studies on the photolysis of ethyl (E)-4-hydroxy-3-methyl-4-phenyl-2-butenoate E Mack, S Sarkar ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013 | | 2013 |