Austin B. Yongye

Publication Activity (10 Years)

Years Active: 2007-2013
Publications (10 Years): 0

Top Topics

Structural Properties

Activity Patterns

Data Mining Methods

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

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) (2013)
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) (2012)
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) (2012)
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) (2012)
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) (2011)
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) (2011)
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) (2010)
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) (2010)
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) (2009)
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) (2007)