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Context-based preprocessing of molecular docking data. BMC Genomics (2013) 0.75

Crystal structure and function of the isoniazid target of Mycobacterium tuberculosis. Science (1995) 3.25

Structure-based virtual screening: an overview. Drug Discov Today (2002) 2.70

Prediction of human protein function according to Gene Ontology categories. Bioinformatics (2003) 2.54

Spending on new drug development1. Health Econ (2010) 2.09

Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking. Proteins (2007) 2.03

Sterilization of tubercle bacilli by isonicotinic acid hydrazide and the incidence of variants resistant to the drug in vitro. Am Rev Tuberc (1952) 1.93

Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data. J Biol Chem (2003) 1.81

The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme. Biopolymers (2003) 1.80

Mechanism of thioamide drug action against tuberculosis and leprosy. J Exp Med (2007) 1.59

Applying Support Vector Machines for Gene Ontology based gene function prediction. BMC Bioinformatics (2004) 1.47

Drugs that inhibit mycolic acid biosynthesis in Mycobacterium tuberculosis. Curr Pharm Biotechnol (2002) 1.28

Developing and validating predictive decision tree models from mining chemical structural fingerprints and high-throughput screening data in PubChem. BMC Bioinformatics (2008) 1.24

Triclosan derivatives: towards potent inhibitors of drug-sensitive and drug-resistant Mycobacterium tuberculosis. ChemMedChem (2009) 1.19

Molecular dynamics simulation studies of the wild-type, I21V, and I16T mutants of isoniazid-resistant Mycobacterium tuberculosis enoyl reductase (InhA) in complex with NADH: toward the understanding of NADH-InhA different affinities. Biophys J (2005) 1.10

On the importance of comprehensible classification models for protein function prediction. IEEE/ACM Trans Comput Biol Bioinform (2010) 0.99

An inorganic iron complex that inhibits wild-type and an isoniazid-resistant mutant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis. Chem Commun (Camb) (2004) 0.97

Mining flexible-receptor docking experiments to select promising protein receptor snapshots. BMC Genomics (2010) 0.93

Decision tree methods in pharmaceutical research. Curr Top Med Chem (2006) 0.87

Computational detection of the binding-site hot spot at the remodeled human growth hormone-receptor interface. Proteins (2003) 0.85

Neural networks for protein classification. Appl Bioinformatics (2004) 0.81

Towards automated medical decisions. Comput Biomed Res (1972) 0.78

Molecular dynamics simulation studies of the wild-type, I21V, and I16T mutants of isoniazid-resistant Mycobacterium tuberculosis enoyl reductase (InhA) in complex with NADH: toward the understanding of NADH-InhA different affinities. Biophys J (2005) 1.10

wFReDoW: a cloud-based web environment to handle molecular docking simulations of a fully flexible receptor model. Biomed Res Int (2013) 1.08

Mining flexible-receptor docking experiments to select promising protein receptor snapshots. BMC Genomics (2010) 0.93

Plasmodium falciparum histidine-rich protein II binds to actin, phosphatidylinositol 4,5-bisphosphate and erythrocyte ghosts in a pH-dependent manner and undergoes coil-to-helix transitions in anionic micelles. Mol Biochem Parasitol (2003) 0.90

Conformational changes in 2-trans-enoyl-ACP (CoA) reductase (InhA) from M. tuberculosis induced by an inorganic complex: a molecular dynamics simulation study. J Mol Model (2011) 0.86

FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection. BMC Genomics (2011) 0.84

Biochemical characterization of recombinant nucleoside hydrolase from Mycobacterium tuberculosis H37Rv. Arch Biochem Biophys (2013) 0.81

Sequence and structural aspects of the functional diversification of plant alcohol dehydrogenases. Gene (2007) 0.79

Biochemical and cellular analysis of human variants of the DYT1 dystonia protein, TorsinA/TOR1A. Hum Mutat (2014) 0.79

Evaluation of the impact of functional diversification on Poaceae, Brassicaceae, Fabaceae, and Pinaceae alcohol dehydrogenase enzymes. J Mol Model (2009) 0.78

Effect of the explicit flexibility of the InhA enzyme from Mycobacterium tuberculosis in molecular docking simulations. BMC Genomics (2011) 0.78

Protein cellular localization prediction with Support Vector Machines and Decision Trees. Comput Biol Med (2006) 0.77

Context-based preprocessing of molecular docking data. BMC Genomics (2013) 0.75

Automatic design of decision-tree algorithms with evolutionary algorithms. Evol Comput (2013) 0.75

Mining the protein data bank with CReF to predict approximate 3-D structures of polypeptides. Int J Data Min Bioinform (2010) 0.75