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Journal Articles
- 2017
[j5]Berhane Temelso
, Joel M. Mabey, Toshiro Kubota, Nana Appiah-Padi, George C. Shields:
ArbAlign: A Tool for Optimal Alignment of Arbitrarily Ordered Isomers Using the Kuhn-Munkres Algorithm. J. Chem. Inf. Model. 57(5): 1045-1054 (2017)- 2009
- [j4]Amanda M. Salisburg, Ashley L. Deline, Katrina W. Lexa, George C. Shields, Karl N. Kirschner:
Ramachandran-type plots for glycosidic linkages: Examples from molecular dynamic simulations using the Glycam06 force field. J. Comput. Chem. 30(6): 910-921 (2009) - 2005
- [j3]Chang-Guo Zhan, Shi-Xian Deng, Jaime G. Skiba, Beth A. Hayes, Sarah M. Tschampel, George C. Shields, Donald W. Landry:
First-principle studies of intermolecular and intramolecular catalysis of protonated cocaine. J. Comput. Chem. 26(10): 980-986 (2005) - 1993
- [j2]Marcus W. Jurema, George C. Shields:
Ability of the PM3 quantum-mechanical method to model intermolecular hydrogen bonding between neutral molecules. J. Comput. Chem. 14(1): 89-104 (1993) - [j1]Marcus W. Jurema, Karl N. Kirschner, George C. Shields:
Modeling of magic water clusters (H2O)20 and (H2O)21H+ with the PM3 quantum-mechanical method. J. Comput. Chem. 14(11): 1326-1332 (1993)
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