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ChemoInformatics in Drug Discovery

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Structure-Based Virtual Screening for Ligands of G Protein–Coupled Receptors: What Can Molecular Docking Do for You?
Structure-Based Virtual Screening for Ligands of G Protein–Coupled Receptors: What Can Molecular Docking Do for You?
Design and Synthesis of Simplified Largazole Analogues as Isoform-Selective Human Lysine Deacetylase Inhibitors
Design and Synthesis of Simplified Largazole Analogues as Isoform-Selective Human Lysine Deacetylase Inhibitors
Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors
Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors
ci-2015-00603x_0015
Drug_discovery_pipeline
Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy
Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy
Docking Finds GPCR Ligands in Dark Chemical Matter
Docking Finds GPCR Ligands in Dark Chemical Matter
Protein-Ligand Interactions and Drug Design
Protein-Ligand Interactions and Drug Design

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Cheminf is the place to share my research interests and free computer-aided drug design (CADD) software developed during my research activity. The Clusterizer/DockAccessor software and tutorial are freely available here.

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