Relating protein pharmacology by ligand chemistry

Basic local alignment search tool

1990 • 87,358 citations

Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

1997 • 71,835 citations

Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks

2003 • 41,909 citations

Goodman & Gilman's The Pharmacological Basis of Therapeutics

1985 • 7,054 citations

Goodman and Gilman's the Pharmacological Basis of Therapeutics

1986 • 6,964 citations

On the shortest spanning subtree of a graph and the traveling salesman problem

1956 • 4,806 citations

Neuropsychopharmacology

1990 • 1,545 citations

Methods for assessing the statistical significance of molecular sequence features by using general scoring schemes.

1990 • 1,542 citations

Concepts and applications of molecular similarity

1990 • 1,312 citations

Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia

2004 • 1,111 citations

Global mapping of pharmacological space

2006 • 798 citations

Salvinorin A: A potent naturally occurring nonnitrogenous κ opioid selective agonist

2002 • 740 citations

Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection

1996 • 625 citations

Enzyme nomenclature 1992. Recommendations of the Nomenclature Committee of the International Union of Biochemistry and Molecular Biology on the Nomenclature and Classification of Enzymes.

1992 • 453 citations

Similarity and clustering in chemical information systems

1987 • 450 citations

Why do we need so many chemical similarity search methods?

2002 • 395 citations

Enzyme Function Less Conserved than Anticipated

2002 • 388 citations

Matrix2png: a utility for visualizing matrix data

2003 • 356 citations

Empirical statistical estimates for sequence similarity searches

1998 • 341 citations

Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases

2006 • 337 citations

Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures

2004 • 315 citations

Small molecules: the missing link in the central dogma

2005 • 305 citations

Molecular Biology of Serotonin Receptors - Structure and Function at the Molecular Level

2002 • 269 citations

Ketobemidone, methadone and pethidine are non-competitive N-methyl-d-aspartate (NMDA) antagonists in the rat cortex and spinal cord

1995 • 258 citations

Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins

2002 • 254 citations

Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors

1997 • 243 citations

New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching

2006 • 203 citations

Performance of Similarity Measures in 2D Fragment-Based Similarity Searching: Comparison of Structural Descriptors and Similarity Coefficients

2002 • 190 citations

Kinomics—structural biology and chemogenomics of kinase inhibitors and targets

2003 • 175 citations

Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures

2005 • 149 citations

Acquired QT interval prolongation and HERG: implications for drug discovery and development

2004 • 143 citations

The highly efficacious actions of N-desmethylclozapine at muscarinic receptors are unique and not a common property of either typical or atypical antipsychotic drugs: is M1 agonism a pre-requisite for mimicking clozapine?s actions?

2004 • 118 citations

“Bayes Affinity Fingerprints” Improve Retrieval Rates in Virtual Screening and Define Orthogonal Bioactivity Space: When Are Multitarget Drugs a Feasible Concept?

2006 • 111 citations

Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients

2004 • 109 citations

Parallel Screening: A Novel Concept in Pharmacophore Modeling and Virtual Screening

2006 • 109 citations

Robust Ligand-Based Modeling of the Biological Targets of Known Drugs

2006 • 103 citations

The Three α2-Adrenergic Receptor Subtypes Achieve Basolateral Localization in Madin-Darby Canine Kidney II Cells via Different Targeting Mechanisms

1996 • 96 citations

Functional Inhibition by Methadone of N-Methyl-d-Aspartate Receptors Expressed in Xenopus Oocytes: Stereospecific and Subunit Effects

2004 • 94 citations

An Ontology for Pharmaceutical Ligands and Its Application for in Silico Screening and Library Design

2002 • 93 citations

Pharmacokinetics of methadone and its primary metabolite in 20 opiate addicts

1995 • 92 citations

Ligand Binding Kinetics of Substance P and Neurokinin A Receptors Stably Expressed in Chinese Hamster Ovary Cells and Evidence for Differential Stimulation of Inositol 1,4,5‐Trisphosphate and Cyclic AMP Second Messenger Responses

1992 • 86 citations

Neighborhood Behavior of in Silico Structural Spaces with Respect to in Vitro Activity Spaces−A Novel Understanding of the Molecular Similarity Principle in the Context of Multiple Receptor Binding Profiles

2003 • 77 citations

Peripheral-type benzodiazepine receptors: a second site of action for benzodiazepines.

1991 • 50 citations

Similarity and Clustering

2003 • 49 citations

A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules

1998 • 42 citations

Enzyme classification by ligand binding

2004 • 27 citations

Muscarinic Receptor Binding Sites of the M₄ Subtype in Porcine Lung Parenchyma

1998 • 20 citations

Loperamide Inhibits Tachykinin NK3-Receptor-Triggered Serotonin Release Without Affecting NK2-Receptor-Triggered Serotonin Release From Guinea Pig Colonic Mucosa

2005 • 15 citations

Deleted Work

1955 • 0 citations