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Journal of Chemical Theory and Computation
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December 3, 2015
Semiempirical Comparative Binding Energy Analysis (SE-COMBINE) of a Series of Trypsin Inhibitors
Martin B Peters, Kenneth M Merz
Current Opinion in Drug Discovery & Development
|
May 30, 2006
Quantum mechanics in structure-based drug design
Martin B Peters, Kaushik Raha, Kenneth M Merz
The Journal of Physical Chemistry. A
|
August 30, 2008
MNDO parameters for the prediction of 19F NMR chemical shifts in biologically relevant compounds
Duane E Williams, Martin B Peters, Bing Wang, et al.
Journal of Medicinal Chemistry
|
May 16, 2012
Integrated virtual screening for the identification of novel and selective peroxisome proliferator-activated receptor (PPAR) scaffolds
Daniel K Nevin, Martin B Peters, Giorgio Carta, et al.
Journal of Chemical Information and Modeling
|
March 9, 2010
Quantum mechanical pairwise decomposition analysis of protein kinase B inhibitors: validating a new tool for guiding drug design
Xiaohua Zhang, Alan C Gibbs, Charles H Reynolds, et al.
The Journal of Physical Chemistry. A
|
October 6, 2009
AM1 parameters for the prediction of 1H and 13C NMR chemical shifts in proteins
Duane E Williams, Martin B Peters, Bing Wang, et al.
Journal of Chemical Theory and Computation
|
September 22, 2010
Structural Survey of Zinc Containing Proteins and the Development of the Zinc AMBER Force Field (ZAFF)
Martin B Peters, Yue Yang, Bing Wang, et al.
Drug Discovery Today
|
September 11, 2007
The role of quantum mechanics in structure-based drug design
Kaushik Raha, Martin B Peters, Bing Wang, et al.
Journal of the American Chemical Society
|
May 5, 2005
Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein-ligand interaction
Kaushik Raha, Arjan J van der Vaart, Kevin E Riley, et al.
Bioorganic & Medicinal Chemistry Letters
|
May 3, 2011
Identification of plasmepsin inhibitors as selective anti-malarial agents using ligand based drug design
Paul B McKay, Martin B Peters, Giorgio Carta, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
December 3, 2015
Semiempirical Comparative Binding Energy Analysis (SE-COMBINE) of a Series of Trypsin Inhibitors
Martin B Peters, Kenneth M Merz
Current Opinion in Drug Discovery & Development
|
May 30, 2006
Quantum mechanics in structure-based drug design
Martin B Peters, Kaushik Raha, Kenneth M Merz
The Journal of Physical Chemistry. A
|
August 30, 2008
MNDO parameters for the prediction of 19F NMR chemical shifts in biologically relevant compounds
Duane E Williams, Martin B Peters, Bing Wang, et al.
Journal of Medicinal Chemistry
|
May 16, 2012
Integrated virtual screening for the identification of novel and selective peroxisome proliferator-activated receptor (PPAR) scaffolds
Daniel K Nevin, Martin B Peters, Giorgio Carta, et al.
Journal of Chemical Information and Modeling
|
March 9, 2010
Quantum mechanical pairwise decomposition analysis of protein kinase B inhibitors: validating a new tool for guiding drug design
Xiaohua Zhang, Alan C Gibbs, Charles H Reynolds, et al.
The Journal of Physical Chemistry. A
|
October 6, 2009
AM1 parameters for the prediction of 1H and 13C NMR chemical shifts in proteins
Duane E Williams, Martin B Peters, Bing Wang, et al.
Journal of Chemical Theory and Computation
|
September 22, 2010
Structural Survey of Zinc Containing Proteins and the Development of the Zinc AMBER Force Field (ZAFF)
Martin B Peters, Yue Yang, Bing Wang, et al.
Drug Discovery Today
|
September 11, 2007
The role of quantum mechanics in structure-based drug design
Kaushik Raha, Martin B Peters, Bing Wang, et al.
Journal of the American Chemical Society
|
May 5, 2005
Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein-ligand interaction
Kaushik Raha, Arjan J van der Vaart, Kevin E Riley, et al.
Bioorganic & Medicinal Chemistry Letters
|
May 3, 2011
Identification of plasmepsin inhibitors as selective anti-malarial agents using ligand based drug design
Paul B McKay, Martin B Peters, Giorgio Carta, et al.
Page
of 2