Published in J Chem Inf Comput Sci on November 22, 1999
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results. J Comput Aided Mol Des (2006) 2.53
PharmaGist: a webserver for ligand-based pharmacophore detection. Nucleic Acids Res (2008) 1.16
Pharmacophore-based discovery of ligands for drug transporters. Adv Drug Deliv Rev (2006) 1.15
Protein pharmacophore selection using hydration-site analysis. J Chem Inf Model (2012) 0.93
Towards a new age of virtual ADME/TOX and multidimensional drug discovery. J Comput Aided Mol Des (2002) 0.93
Novel approach for efficient pharmacophore-based virtual screening: method and applications. J Chem Inf Model (2009) 0.88
Deterministic pharmacophore detection via multiple flexible alignment of drug-like molecules. J Comput Biol (2008) 0.86
Exploring the potential of protein-based pharmacophore models in ligand pose prediction and ranking. J Chem Inf Model (2013) 0.84
PharmDock: a pharmacophore-based docking program. J Cheminform (2014) 0.80
Prediction of sub-cavity binding preferences using an adaptive physicochemical structure representation. Bioinformatics (2009) 0.79
Analysis of High-Dimensional Structure-Activity Screening Datasets Using the Optimal Bit String Tree. Technometrics (2013) 0.75
IVSPlat 1.0: an integrated virtual screening platform with a molecular graphical interface. Chem Cent J (2012) 0.75
Delaunay tessellation of proteins: four body nearest-neighbor propensities of amino acid residues. J Comput Biol (1996) 2.29
Using the false discovery rate approach in the genetic dissection of complex traits: a response to Weller et al. Genetics (2000) 1.81
Selection for and against a canalised phenotype in Drosophila melanogaster. Genet Res (1967) 1.65
Computer simulation of directional selection in large populations. I. The programme, the additive and the dominance models. Genetics (1966) 1.55
Assessment of visually lossless irreversible image compression: comparison of three methods by using an image-comparison workstation. Radiology (2000) 1.50
An efficient projection protocol for chemical databases: singular value decomposition combined with truncated-newton minimization. J Chem Inf Comput Sci (2000) 1.44
Cross-validated R2-guided region selection for comparative molecular field analysis: a simple method to achieve consistent results. J Med Chem (1995) 1.37
Using prior information to allocate significance levels for multiple endpoints. Stat Med (1998) 1.31
Four-body potentials reveal protein-specific correlations to stability changes caused by hydrophobic core mutations. J Mol Biol (2001) 1.17
Genomic organization of the X-linked inhibitor of apoptosis and identification of a novel testis-specific transcript. Genomics (2001) 1.11
Analysis of a large structure/biological activity data set using recursive partitioning. J Chem Inf Comput Sci (2000) 1.07
A stabilized moment estimator for the beta-binomial distribution. Biometrics (1987) 1.05
Right aortic arch with subclavian steal syndrome (atresia of left common carotid and left subclavian arteries). Am J Surg (1966) 1.04
Conformational analysis of D1 dopamine receptor agonists: pharmacophore assessment and receptor mapping. J Med Chem (1996) 1.02
Antitumor agents. 199. Three-dimensional quantitative structure-activity relationship study of the colchicine binding site ligands using comparative molecular field analysis. J Med Chem (2000) 1.01
The incorporation of historical control information in tests of proportions: simulation study of Tarone's procedure. Biometrics (1986) 1.01
Dose selection for long-term rodent carcinogenicity studies. Fundam Appl Toxicol (1986) 0.98
QSAR analysis of the toxicity of nitroaromatics in Tetrahymena pyriformis: structural factors and possible modes of action. SAR QSAR Environ Res (2011) 0.98
The "random-coil" state of proteins: comparison of database statistics and molecular simulations. Proteins (1999) 0.97
Synthesis, evaluation, and comparative molecular field analysis of 1-phenyl-3-amino-1,2,3,4-tetrahydronaphthalenes as ligands for histamine H(1) receptors. J Med Chem (1999) 0.97
Life and death decisions: the role of the IAPs in modulating programmed cell death. Apoptosis (1997) 0.97
Accurate classification of protein structural families using coherent subgraph analysis. Pac Symp Biocomput (2004) 0.97
Energetic decomposition of the alpha-helix-coil equilibrium of a dynamic model system. Biopolymers (1996) 0.95
Molecular simulations of beta-sheet twisting. J Mol Biol (1996) 0.95
Free energies for refolding of the common beta turn into the inverse-common beta turn: simulation of the role of D/L chirality. Proc Natl Acad Sci U S A (1993) 0.95
Design of cancer assays for pharmaceutical agents. J Natl Cancer Inst (1985) 0.95
The comparative hypoxaemic effect of four alpha 2 adrenoceptor agonists (xylazine, romifidine, detomidine and medetomidine) in sheep. J Vet Pharmacol Ther (1997) 0.94
Cardiopulmonary and gastrointestinal motility effects of xylazine/ketamine-induced anesthesia in horses previously treated with glycopyrrolate. Am J Vet Res (1996) 0.92
Quantitative structure-activity relationship modeling of dopamine D(1) antagonists using comparative molecular field analysis, genetic algorithms-partial least-squares, and K nearest neighbor methods. J Med Chem (1999) 0.91
Molecular cloning and characterization of an invertebrate cellular retinoic acid binding protein. Proc Natl Acad Sci U S A (1998) 0.90
A comparison of ketorolac with flunixin, butorphanol, and oxymorphone in controlling postoperative pain in dogs. Can Vet J (1996) 0.90
Rational combinatorial library design. 3. Simulated annealing guided evaluation (SAGE) of molecular diversity: a novel computational tool for universal library design and database mining. J Chem Inf Comput Sci (1999) 0.89
A new approach to protein fold recognition based on Delaunay tessellation of protein structure. Pac Symp Biocomput (1997) 0.86
A motif found in propeptides and prohormones that may target them to secretory vesicles. Biochem Biophys Res Commun (1991) 0.86
Structure-based alignment and comparative molecular field analysis of acetylcholinesterase inhibitors. J Med Chem (1996) 0.85
Acknowledge and fix the multiple testing problem. Int J Epidemiol (2009) 0.85
Searching for pharmacophores in large coordinate data bases and its use in drug design. Proc Natl Acad Sci U S A (1989) 0.85
Lattice protein folding with two and four-body statistical potentials. Proteins (2001) 0.85
Thermodynamic parameters for the helix-coil transition of oligopeptides: molecular dynamics simulation with the peptide growth method. Proc Natl Acad Sci U S A (1995) 0.82
A comparison of romifidine and xylazine when used with diazepam/ketamine for short duration anesthesia in the horse. Can Vet J (1996) 0.82
Accurate prediction of the bound conformation of galanthamine in the active site of Torpedo californica acetylcholinesterase using molecular docking. J Mol Graph Model (2001) 0.82
Rational combinatorial library design. 2. Rational design of targeted combinatorial peptide libraries using chemical similarity probe and the inverse QSAR approaches. J Chem Inf Comput Sci (1998) 0.82
Diversity and coverage of structural sublibraries selected using the SAGE and SCA algorithms. J Chem Inf Comput Sci (2001) 0.81
Postoperative analgesia using phenylbutazone, flunixin or carprofen in horses. Vet Rec (1993) 0.81
Antitumor agents. 163. Three-dimensional quantitative structure-activity relationship study of 4'-O-demethylepipodophyllotoxin analogs using the modified CoMFA/q2-GRS approach. J Med Chem (1996) 0.81
Rational combinatorial library design. 1. Focus-2D: a new approach to the design of targeted combinatorial chemical libraries. J Chem Inf Comput Sci (1998) 0.81
Novel chirality descriptors derived from molecular topology. J Chem Inf Comput Sci (2001) 0.80
Rational design of a three-heptad coiled-coil protein and comparison by molecular dynamics simulation with the GCN4 coiled coil: presence of interior three-center hydrogen bonds. Protein Sci (1994) 0.80
Positive correlation of body weight with pituitary tumor incidence in rats. Fundam Appl Toxicol (1983) 0.80
Adverse outcome analyses of observational data: assessing cardiovascular risk in HIV disease. Clin Infect Dis (2011) 0.79
Comparison of aerobic capacity between racing standardbred horses. J Appl Physiol (1985) (1995) 0.78
Relative binding free energies of peptide inhibitors of HIV-1 protease: the influence of the active site protonation state. J Med Chem (1995) 0.78
Analysis of the frequency spectrum of the equine electroencephalogram during halothane anaesthesia. Res Vet Sci (1994) 0.78
QSAR modeling of datasets with enantioselective compounds using chirality sensitive molecular descriptors. SAR QSAR Environ Res (2005) 0.77
Polyethylene glycol-drug ester conjugates for prolonged retention of small inhaled drugs in the lung. J Control Release (2013) 0.76
Correlated response in scutellar bristles to selection for abdominal bristles in Drosophila melanogaster. Genetics (1965) 0.76
Selection for high adult body weight in Drosophila populations with different structures. Genetics (1975) 0.76
Pseudotorsional OCCO backbone angle as a single descriptor of protein secondary structure. Protein Sci (1995) 0.75
Computer simulation of directional selection in large populations. II. The additive x additive and mixed models. Genetics (1967) 0.75
The effects of some physical and biotic environments on heterosis of direct and associate genotypes in Drosophila melanogaster. Genetics (1971) 0.75
Direct and associate effects of body weight and viability in Drosophila melanogaster. Genetics (1970) 0.75
The relationship between respiratory exchange ratio, plasma lactate and muscle lactate concentrations in exercising horses using a valved gas collection system. Can J Vet Res (1996) 0.75
Modification of cardiopulmonary and intestinal motility effects of xylazine with glycopyrrolate in horses. Can J Vet Res (1997) 0.75
Male Wistar rats exposed to two polychlorinated biphenyls (Clophen A 30 or Clophen A 60) Toxicol Appl Pharmacol (1985) 0.75
Chemical and biochemical studies of 2-propynylpyrrolidine derivatives. Restricted-rotation analogues of N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide (BM-5). J Med Chem (1990) 0.75
Use of recursive partitioning in the sequential screening of G-protein-coupled receptors. J Pharmacol Toxicol Methods (1999) 0.75
Focus-2D: a new approach to the design of targeted combinatorial chemical libraries. Pac Symp Biocomput (1998) 0.75
Rapid protein structure classification using one-dimensional structure profiles on the bioSCAN parallel computer. Comput Appl Biosci (1995) 0.75
Effect of inhalation anaesthetics on total respiratory resistance in conscious ponies. J Vet Pharmacol Ther (1992) 0.75
Evaluation of data from long-term rodent studies. J Natl Cancer Inst (1988) 0.75
Cardiopulmonary effects of clonidine, diazepam and the peripheral alpha 2 adrenoceptor agonist ST-91 in conscious sheep. J Vet Pharmacol Ther (1997) 0.75
Use of the forced oscillating airflow technique to measure the resistance of the equine upper airway: effects of laryngoventriculectomy and laryngoplasty. Res Vet Sci (1990) 0.75
Some consequences of selection for fast and slow recovery from the larval alarm reaction in Aedes aegypti. Theor Appl Genet (1979) 0.75
On the choice of experimental populations for research in neurobehavioral toxicology. J Toxicol Environ Health (1984) 0.75
[Test anxiety and internal dialogue analysis]. Gaoxiong Yi Xue Ke Xue Za Zhi (1988) 0.75
The livestock infectious diseases situation in Taiwan, the Republic of China. Bull Off Int Epizoot (1965) 0.75
Statistical decoding of potent pools based on chemical structure. Biometrics (2001) 0.75
[A study of the neurological in-patient who got Chinese traditional treatment before admission (author's transl)]. Hu Li Za Zhi (1978) 0.75
Exploration of the negative correlation between proliferative hepatocellular lesions and lymphoma in rats and mice--establishment and implications. Fundam Appl Toxicol (1984) 0.75
Differences in bristle-making abilities in scute and wild-type Drosophila melanogaster. Genet Res (1966) 0.75
[A study of chronic schizophrenic patients on the attention tests]. Gaoxiong Yi Xue Ke Xue Za Zhi (1989) 0.75
Oxygen cost of ventilation in the resting horse. Res Vet Sci (1995) 0.75
Animal quarantine service in Taiwan, the Republic of China. Bull Off Int Epizoot (1965) 0.75
[A study of recall and language characteristics in schizophrenia--via story schema analysis]. Gaoxiong Yi Xue Ke Xue Za Zhi (1990) 0.75
Are there local room effects on hepatic tumors in male mice? An examination of the NTP eugenol study. Fundam Appl Toxicol (1987) 0.75
Jet anaesthesia in horses. Equine Vet J (1989) 0.75
Collection, storage, retrieval, and analysis of toxicological data using automated equipment and packaged software. Drug Inf J (1977) 0.75
Technique for continuous stride analysis of horses exercising on a treadmill. Res Vet Sci (1991) 0.75