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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

Welcome to ChemInf!

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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