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Publications by John J. Irwin
Virtual Ligand Screening Against Comparative Protein Structure Models
Methods in Molecular Biology
Genetics
Molecular Biology
Comprehensive Mechanistic Analysis of Hits From High-Throughput and Docking Screens Against Β-Lactamase
Journal of Medicinal Chemistry
Drug Discovery
Molecular Medicine
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A Virtual Screening Algorithm Using Promiscuous Protein–Ligand Complexes
Seibutsu Butsuri
Computational Protein–ligand Docking and Virtual Drug Screening With the AutoDock Suite
Nature Protocols
Biochemistry
Genetics
Molecular Biology
Combined Ligand and Structure-Based Virtual Screening Approaches for Identification of Novel AChE Inhibitors
Turkish Journal of Chemistry
Chemistry
Receptor Flexibility in Ligand Docking and Virtual Screening
Ligand Protonation States and Stereoisomers in Virtual Screening
Chemistry Central Journal
Chemistry
Are Predicted Protein Structures of Any Value for Binding Site Prediction and Virtual Ligand Screening?
Current Opinion in Structural Biology
Structural Biology
Molecular Biology
Can the Energy Gap in the Protein-Ligand Binding Energy Landscape Be Used as a Descriptor in Virtual Ligand Screening?
PLoS ONE
Multidisciplinary
Assessment and Challenges of Ligand Docking Into Comparative Models of G-Protein Coupled Receptors
PLoS ONE
Multidisciplinary
QEX: Target-Specific Druglikeness Filter Enhances Ligand-Based Virtual Screening
Molecular Diversity
Organic Chemistry
Information Systems
Molecular Biology
Theoretical Chemistry
Inorganic Chemistry
Medicine
Catalysis
Drug Discovery
Physical
