Virtual screening

Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening

Organic Chemistry / Kinetics / Modeling / Crystallization / Enzyme Inhibitors / Pharmaceutical Chemistry / Macromolecular X-Ray Crystallography / Crystal structure / In Vitro / Virtual screening / Animals / Ligand Binding / Drug Design / Molecular docking / Glycoproteins / Chagas disease / Enzyme / Neuraminidase / Active site / Trypanosoma Cruzi / Ether / Molecular Model / Bioorganic and medicinal Chemistry / Sialic Acid / In Silico / Drug Targeting / Ligands / Trans-Sialidase / Pharmaceutical Chemistry / Macromolecular X-Ray Crystallography / Crystal structure / In Vitro / Virtual screening / Animals / Ligand Binding / Drug Design / Molecular docking / Glycoproteins / Chagas disease / Enzyme / Neuraminidase / Active site / Trypanosoma Cruzi / Ether / Molecular Model / Bioorganic and medicinal Chemistry / Sialic Acid / In Silico / Drug Targeting / Ligands / Trans-Sialidase

SKPDB: a structural database of shikimate pathway enzymes

Relational Database / Computational Biology / Structure Based Drug Design / Biological Sciences / Protein Structure and Function / Software / Enzymes / Virtual screening / Mathematical Sciences / Drug Design / BMC Bioinformatics / Enzyme / Protein Sequence Analysis / Protein Conformation / Metabolic pathway / Amino Acid Sequence / Shikimic acid / Structural model / Software / Enzymes / Virtual screening / Mathematical Sciences / Drug Design / BMC Bioinformatics / Enzyme / Protein Sequence Analysis / Protein Conformation / Metabolic pathway / Amino Acid Sequence / Shikimic acid / Structural model

Grid-Enabled High-Throughput <emphasis emphasistype=\"italic\">In Silico</emphasis> Screening Against Influenza A Neuraminidase

Biomedical Engineering / Drug Discovery / Virtual screening / influenza A / High throughput screening / Drug Design / Lessons Learned / Very high throughput / influenza A virus / Large Scale / In Silico / Electrical And Electronic Engineering / Drug Design / Lessons Learned / Very high throughput / influenza A virus / Large Scale / In Silico / Electrical And Electronic Engineering

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