Austin B. Yongye

发表

GLYCAM06: A generalizable biomolecular force field. Carbohydrates

Karl Nicholas Kirschner, Austin B. Yongye, Sarah M. Tschampel, 2008, J. Comput. Chem..

Multitarget Structure-Activity Relationships Characterized by Activity-Difference Maps and Consensus Similarity Measure

Austin B. Yongye, José L. Medina-Franco, Jaime Pérez-Villanueva, 2011, J. Chem. Inf. Model..

Data Mining of Protein-Binding Profiling Data Identifies Structural Modifications that Distinguish Selective and Promiscuous Compounds

José L. Medina-Franco, Austin B. Yongye, J. Medina‐Franco, 2012, J. Chem. Inf. Model..

Integrating computational and mixture-based screening of combinatorial libraries

Clemencia Pinilla, Austin B. Yongye, Richard A. Houghten, 2011, Journal of molecular modeling.

Modeling of peptides containing D-amino acids: implications on cyclization

Austin B. Yongye, Richard A. Houghten, Yongping Yu, 2009, J. Comput. Aided Mol. Des..

Consensus Models of Activity Landscapes with Multiple Chemical, Conformer, and Property Representations

José L. Medina-Franco, Kendall G. Byler, Austin B. Yongye, 2011, J. Chem. Inf. Model..

A large scale classification of molecular fingerprints for the chemical space representation and SAR analysis

José L. Medina-Franco, Austin B. Yongye, Fabian López-Vallejo, 2012, Journal of Cheminformatics.

Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble

Andreas Bender, Austin B. Yongye, Karina Martínez-Mayorga, 2010, J. Comput. Aided Mol. Des..

Activity-difference maps and consensus similarity measure characterize structure-activity relationships

José L. Medina-Franco, Jaime Pérez-Villanueva, Austin B. Yongye, 2012, Journal of Cheminformatics.

Conformational landscape of platinum(II)-tetraamine complexes: DFT and NBO studies

Austin B. Yongye, Richard A. Houghten, Karina Martínez-Mayorga, 2010, J. Comput. Aided Mol. Des..

Characterization of a comprehensive flavor database

Austin B. Yongye, José L. Medina-Franco, Marc A. Giulianotti, 2011 .

Rapid Scanning Structure-Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches

Clemencia Pinilla, Bruce S. Edwards, Larry A. Sklar, 2013, J. Chem. Inf. Model..

Consensus Models of Activity Landscapes

José L. Medina-Franco, Austin B. Yongye, Fabian López-Vallejo, 2012 .

The conformational properties of methyl alpha-(2,8)-di/trisialosides and their N-acyl analogues: implications for anti-Neisseria meningitidis B vaccine design.

Austin B. Yongye, R. Woods, A. Yongye, 2008, Biochemistry.

Molecular Scaffold Analysis of Natural Products Databases in the Public Domain

José L Medina-Franco, Austin B. Yongye, Jacob Waddell, 2012, Chemical biology & drug design.

Synthesis and biological evaluations of novel endomorphin analogues containing α-hydroxy-β-phenylalanine (AHPBA) displaying mixed μ/δ opioid receptor agonist and δ opioid receptor antagonist activities.

Austin B. Yongye, Radleigh G. Santos, M. Giulianotti, 2015, European journal of medicinal chemistry.

Computational Techniques Applied to Defining Carbohydrate Antigenicity

Austin B. Yongye, R. Woods, A. Yongye, 2012 .

Dissociation of Antimicrobial and Hemolytic Activities of Gramicidin S through N‐Methylation Modification

Austin B. Yongye, R. Houghten, Nina Bionda, 2013, ChemMedChem.

Identification of a Small Molecule That Selectively Inhibits Mouse PC2 over Mouse PC1/3: A Computational and Experimental Study

Austin B. Yongye, I. Lindberg, R. Houghten, 2013, PloS one.

Extension of the GLYCAM06 biomolecular force field to lipids, lipid bilayers and glycolipids

Austin B. Yongye, Matthew B. Tessier, M. DeMarco, 2008, Molecular simulation.

Fourier transform mass spectrometry to monitor hyaluronan-protein interactions: use of hydrogen/deuterium amide exchange.

Austin B. Yongye, N. Seyfried, R. Woods, 2007, Rapid communications in mass spectrometry : RCM.

Molecular Aspects of Opioid Receptors and Opioid Receptor Painkillers

Austin B. Yongye, A. Yongye, K. Martínez-Mayorga, 2012 .

Identification, structure-activity relationships and molecular modeling of potent triamine and piperazine opioid ligands.

Austin B. Yongye, Karina Martínez-Mayorga, Adel Nefzi, 2009, Bioorganic & medicinal chemistry.

Conformational landscape of platinum(II)-tetraamine complexes: DFT and NBO studies

Austin B. Yongye, M. Giulianotti, R. Houghten, 2010, J. Comput. Aided Mol. Des..

Modi fi cations that Distinguish Selective and Promiscuous Compounds

Austin B. Yongye, José, L. Medina-Franco, 2012 .

Molecular recognition of the Thomsen-Friedenreich antigen-threonine conjugate by adhesion/growth regulatory galectin-3: nuclear magnetic resonance studies and molecular dynamics simulations.

Austin B. Yongye, H. Gabius, A. Ardá, 2012, Biochemistry.

The conformational properties of methyl α-(2,8)-di/trisialosides and their N-acyl analogs: Implications for anti-Neisseria meningitidis B vaccine design

Austin B. Yongye, Jorge González-Outeiriño, John Glushka, 2010 .

Toward an Efficient Approach to Identify Molecular Scaffolds Possessing Selective or Promiscuous Compounds

José L Medina-Franco, Austin B. Yongye, Austin B Yongye, 2013, Chemical biology & drug design.

Synthesis of cyclic peptides through direct aminolysis of peptide thioesters catalyzed by imidazole in aqueous organic solutions.

Austin B. Yongye, M. Giulianotti, R. Houghten, 2009, Journal of combinatorial chemistry.