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Journal Articles
- 2013
[j10]José L. Medina-Franco
, Bruce S. Edwards, Clemencia Pinilla, Jon R. Appel, Marc A. Giulianotti, Radleigh Santos, Austin B. Yongye, Larry A. Sklar, Richard A. Houghten:
Rapid Scanning Structure-Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches. J. Chem. Inf. Model. 53(6): 1475-1485 (2013)- 2012
- [j9]José L. Medina-Franco, Austin B. Yongye, Jaime Pérez-Villanueva, Richard A. Houghten, Karina Martínez-Mayorga:
Activity-difference maps and consensus similarity measure characterize structure-activity relationships. J. Cheminformatics 4(S-1): 24 (2012) - [j8]Fabian López-Vallejo, Jacob Waddell, Austin B. Yongye, Richard A. Houghten, José L. Medina-Franco:
A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis. J. Cheminformatics 4(S-1): 26 (2012) - [j7]Austin B. Yongye, José L. Medina-Franco:
Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds. J. Chem. Inf. Model. 52(9): 2454-2461 (2012) - 2011
- [j6]Austin B. Yongye, Kendall G. Byler, Radleigh Santos, Karina Martínez-Mayorga, Gerald M. Maggiora, José L. Medina-Franco:
Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations. J. Chem. Inf. Model. 51(6): 1259-1270 (2011) - [j5]José L. Medina-Franco, Austin B. Yongye, Jaime Pérez-Villanueva, Richard A. Houghten, Karina Martínez-Mayorga:
Multitarget Structure-Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure. J. Chem. Inf. Model. 51(9): 2427-2439 (2011) - 2010
- [j4]Austin B. Yongye, Marc A. Giulianotti, Adel Nefzi, Richard A. Houghten, Karina Martínez-Mayorga:
Conformational landscape of platinum(II)-tetraamine complexes: DFT and NBO studies. J. Comput. Aided Mol. Des. 24(3): 225-235 (2010) - [j3]Austin B. Yongye, Andreas Bender, Karina Martínez-Mayorga:
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble. J. Comput. Aided Mol. Des. 24(8): 675-686 (2010) - 2009
- [j2]Austin B. Yongye, Yangmei Li, Marc A. Giulianotti, Yongping Yu, Richard A. Houghten, Karina Martínez-Mayorga:
Modeling of peptides containing D-amino acids: implications on cyclization. J. Comput. Aided Mol. Des. 23(9): 677-689 (2009) - 2007
- [j1]Karl Nicholas Kirschner, Austin B. Yongye, Sarah M. Tschampel, Jorge González-Outeiriño, Charlisa R. Daniels, Bethany Lachele Foley, Robert J. Woods:
GLYCAM06: A generalizable biomolecular force field. Carbohydrates. J. Comput. Chem. 29(4): 622-655 (2007)
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