Parameter estimation for scoring protein-ligand interactions using negative training data. Read more about Parameter estimation for scoring protein-ligand interactions using negative training data.
Robust ligand-based modeling of the biological targets of known drugs. Read more about Robust ligand-based modeling of the biological targets of known drugs.
Anilinodialkoxyquinazolines: screening epidermal growth factor receptor tyrosine kinase inhibitors for potential tumor imaging probes. Read more about Anilinodialkoxyquinazolines: screening epidermal growth factor receptor tyrosine kinase inhibitors for potential tumor imaging probes.
Conformational constraint in oxazolidinone antibacterials. Synthesis and structure-activity studies of (azabicyclo[3.1.0]hexylphenyl)oxazolidinones. Read more about Conformational constraint in oxazolidinone antibacterials. Synthesis and structure-activity studies of (azabicyclo[3.1.0]hexylphenyl)oxazolidinones.
Synthesis, characterization, and plasma lipoprotein association of a nucleus-targeted boronated porphyrin. Read more about Synthesis, characterization, and plasma lipoprotein association of a nucleus-targeted boronated porphyrin.
Structure-based discovery of nonpeptidic small organic compounds to block the T cell response to myelin basic protein. Read more about Structure-based discovery of nonpeptidic small organic compounds to block the T cell response to myelin basic protein.
Computer-assisted design of selective imidazole inhibitors for cytochrome p450 enzymes. Read more about Computer-assisted design of selective imidazole inhibitors for cytochrome p450 enzymes.
Integrating fragment assembly and biophysical methods in the chemical advancement of small-molecule antagonists of IL-2: an approach for inhibiting protein-protein interactions. Read more about Integrating fragment assembly and biophysical methods in the chemical advancement of small-molecule antagonists of IL-2: an approach for inhibiting protein-protein interactions.
Ligand-based structural hypotheses for virtual screening. Read more about Ligand-based structural hypotheses for virtual screening.
Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine. Read more about Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine.
