Design of e-pharmacophore models using compound fragments for the trans-sialidase of Trypanosoma cruzi: screening for novel inhibitor scaffolds.
Miller, Bill R
Design of e-pharmacophore models using compound fragments for the trans-sialidase of Trypanosoma cruzi: screening for novel inhibitor scaffolds. [electronic resource] - Journal of molecular graphics & modelling Sep 2013 - 84-97 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural
1873-4243
10.1016/j.jmgm.2013.08.009 doi
Antiprotozoal Agents--chemistry
Binding Sites
Drug Design
Enzyme Inhibitors--chemistry
Glycoproteins--chemistry
Humans
Hydrogen Bonding
Models, Molecular
Molecular Conformation
Molecular Docking Simulation
Molecular Dynamics Simulation
Molecular Structure
Neuraminidase--chemistry
Protein Binding
Trypanosoma cruzi--enzymology
Design of e-pharmacophore models using compound fragments for the trans-sialidase of Trypanosoma cruzi: screening for novel inhibitor scaffolds. [electronic resource] - Journal of molecular graphics & modelling Sep 2013 - 84-97 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural
1873-4243
10.1016/j.jmgm.2013.08.009 doi
Antiprotozoal Agents--chemistry
Binding Sites
Drug Design
Enzyme Inhibitors--chemistry
Glycoproteins--chemistry
Humans
Hydrogen Bonding
Models, Molecular
Molecular Conformation
Molecular Docking Simulation
Molecular Dynamics Simulation
Molecular Structure
Neuraminidase--chemistry
Protein Binding
Trypanosoma cruzi--enzymology