GLYCAM06: A generalizable biomolecular force field. Carbohydrates. - Karl Nicholas Kirschner; Austin B. Yongye; Sarah M. Tschampel; Jorge González-Outeiriño; Charlisa R. Daniels; Bethany Lachele Foley; Robert J. Woods (J. Comput. Chem., 2007)

Modeling of peptides containing D-amino acids: implications on cyclization. - Austin B. Yongye; Yangmei Li; Marc A. Giulianotti; Yongping Yu; Richard A. Houghten; Karina Martínez-Mayorga (J. Comput. Aided Mol. Des., 2009)

Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble. - Austin B. Yongye; Andreas Bender 002; Karina Martínez-Mayorga (J. Comput. Aided Mol. Des., 2010)

Conformational landscape of platinum(II)-tetraamine complexes: DFT and NBO studies. - Austin B. Yongye; Marc A. Giulianotti; Adel Nefzi; Richard A. Houghten; Karina Martínez-Mayorga (J. Comput. Aided Mol. Des., 2010)

Multitarget Structure-Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure. - José L. Medina-Franco; Austin B. Yongye; Jaime Pérez-Villanueva; Richard A. Houghten; Karina Martínez-Mayorga (J. Chem. Inf. Model., 2011)

Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations. - Austin B. Yongye; Kendall G. Byler; Radleigh Santos; Karina Martínez-Mayorga; Gerald M. Maggiora; José L. Medina-Franco (J. Chem. Inf. Model., 2011)

A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis. - Fabian López-Vallejo; Jacob Waddell; Austin B. Yongye; Richard A. Houghten; José L. Medina-Franco (J. Cheminformatics, 2012)

Activity-difference maps and consensus similarity measure characterize structure-activity relationships. - José L. Medina-Franco; Austin B. Yongye; Jaime Pérez-Villanueva; Richard A. Houghten; Karina Martínez-Mayorga (J. Cheminformatics, 2012)

Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds. - Austin B. Yongye; José L. Medina-Franco (J. Chem. Inf. Model., 2012)

Rapid Scanning Structure-Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches. - 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 (J. Chem. Inf. Model., 2013)