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Drug Discovery Today
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April 16, 2013
Systematic characterization of structure-activity relationships and ADMET compliance: a case study
Austin B Yongye, José L Medina-Franco
Chemical Biology & Drug Design
|
May 11, 2013
Toward an efficient approach to identify molecular scaffolds possessing selective or promiscuous compounds
Austin B Yongye, José L Medina-Franco
Journal of Chemical Information and Modeling
|
August 4, 2012
Data mining of protein-binding profiling data identifies structural modifications that distinguish selective and promiscuous compounds
Austin B Yongye, José L Medina-Franco
Journal of Computer-Aided Molecular Design
|
May 26, 2010
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble
Austin B Yongye, Andreas Bender, Karina Martínez-Mayorga
The Journal of Physical Chemistry. A
|
March 4, 2008
On achieving experimental accuracy from molecular dynamics simulations of flexible molecules: aqueous glycerol
Austin B Yongye, B Lachele Foley, Robert J Woods
Chemical Biology & Drug Design
|
August 7, 2012
Molecular scaffold analysis of natural products databases in the public domain
Austin B Yongye, Jacob Waddell, José L Medina-Franco
Molecular Simulation
|
January 17, 2012
Extension of the GLYCAM06 Biomolecular Force Field to Lipids, Lipid Bilayers and Glycolipids
Matthew B Tessier, Mari L Demarco, Austin B Yongye, et al.
Biochemistry
|
October 29, 2008
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, Jorge Gonzalez-Outeiriño, John Glushka, et al.
Journal of Computer-Aided Molecular Design
|
March 25, 2010
Conformational landscape of platinum(II)-tetraamine complexes: DFT and NBO studies
Austin B Yongye, Marc A Giulianotti, Adel Nefzi, et al.
Journal of Agricultural and Food Chemistry
|
July 16, 2013
Systematic mining of generally recognized as safe (GRAS) flavor chemicals for bioactive compounds
Karina Martinez-Mayorga, Terry L Peppard, Fabian López-Vallejo, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
Drug Discovery Today
|
April 16, 2013
Systematic characterization of structure-activity relationships and ADMET compliance: a case study
Austin B Yongye, José L Medina-Franco
Chemical Biology & Drug Design
|
May 11, 2013
Toward an efficient approach to identify molecular scaffolds possessing selective or promiscuous compounds
Austin B Yongye, José L Medina-Franco
Journal of Chemical Information and Modeling
|
August 4, 2012
Data mining of protein-binding profiling data identifies structural modifications that distinguish selective and promiscuous compounds
Austin B Yongye, José L Medina-Franco
Journal of Computer-Aided Molecular Design
|
May 26, 2010
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble
Austin B Yongye, Andreas Bender, Karina Martínez-Mayorga
The Journal of Physical Chemistry. A
|
March 4, 2008
On achieving experimental accuracy from molecular dynamics simulations of flexible molecules: aqueous glycerol
Austin B Yongye, B Lachele Foley, Robert J Woods
Chemical Biology & Drug Design
|
August 7, 2012
Molecular scaffold analysis of natural products databases in the public domain
Austin B Yongye, Jacob Waddell, José L Medina-Franco
Molecular Simulation
|
January 17, 2012
Extension of the GLYCAM06 Biomolecular Force Field to Lipids, Lipid Bilayers and Glycolipids
Matthew B Tessier, Mari L Demarco, Austin B Yongye, et al.
Biochemistry
|
October 29, 2008
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, Jorge Gonzalez-Outeiriño, John Glushka, et al.
Journal of Computer-Aided Molecular Design
|
March 25, 2010
Conformational landscape of platinum(II)-tetraamine complexes: DFT and NBO studies
Austin B Yongye, Marc A Giulianotti, Adel Nefzi, et al.
Journal of Agricultural and Food Chemistry
|
July 16, 2013
Systematic mining of generally recognized as safe (GRAS) flavor chemicals for bioactive compounds
Karina Martinez-Mayorga, Terry L Peppard, Fabian López-Vallejo, et al.
Page
of 3