Molecular docking

Thiosemicarbazones derived from 1-indanones as new anti-Trypanosoma cruzi agents

Organic Chemistry / Humans / Molecular docking / Chagas disease / Enzyme / Trypanosoma Cruzi / Cysteine endopeptidases / Molecular Conformation / Bioorganic and medicinal Chemistry / Trypanocidal Agents / Erythrocytes / Cysteine Proteinase Inhibitors / Trypanosoma Cruzi / Cysteine endopeptidases / Molecular Conformation / Bioorganic and medicinal Chemistry / Trypanocidal Agents / Erythrocytes / Cysteine Proteinase Inhibitors

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

Comparative structural analysis of two proteins belonging to quorum sensing system in Vibrio cholerae

Biofilms / Molecular Dynamics Simulation / Signal Transduction / Communication System / Homology Modeling / Vibrio cholerae / Drug Design / Quorum Sensing / Molecular docking / Structure Analysis / Protein Binding / Drug Targeting / Molecular Dynamic Simulation / Environmental Parameter / Computational Method / Biochemistry and cell biology / Vibrio cholerae / Drug Design / Quorum Sensing / Molecular docking / Structure Analysis / Protein Binding / Drug Targeting / Molecular Dynamic Simulation / Environmental Parameter / Computational Method / Biochemistry and cell biology

DockPro

Virtual Reality / Protein Docking / Molecular docking / Protein Complex Detection / Visual Feedback / Haptic Rendering / Industrial Production / Large Displays / Haptic Device / Haptic Rendering / Industrial Production / Large Displays / Haptic Device

PARADOCKS – a framework for molecular docking

Cheminformatics / Molecular docking

PARADOCKS � a framework for molecular docking

Cheminformatics / Molecular docking

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