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Emma Mack
Emma Mack
Verified email at schrodinger.com
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Year
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
172015
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
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Articles 1–7