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HierS: Hierarchical Scaffold Clustering Using Topological Chemical Graphs
Conformation Mining: An Algorithm for Finding Biologically RelevantConformations
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Successful in Silico Discovery of Novel Nonsteroidal Ligands for Human SexHormone Binding Globulin
Molecular Dynamics Simulation of the Ligand Binding Domain of Farnesoid XReceptor. Insights into Helix-12 Stability and Coactivator Peptide Stabilizationin Response to Agonist Binding
A Bioavailability Score
Frontal Affinity Chromatography with MS Detection of EphB2 Tyrosine KinaseReceptor. 2. Identification of Small-Molecule Inhibitors via Coupling withVirtual Screening
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C-5-Disubstituted Barbiturates as Potential Molecular Probes for NoninvasiveMatrix Metalloproteinase Imaging
Structure−Activity Relationships of Fluorinated Lysophosphatidic AcidAnalogues
DASH: A Novel Analysis Method for Molecular Dynamics Simulation Data.Analysis of Ligands of PPAR-γ
Convergent Synthesis and Pharmacology of SubstitutedTetrazolyl-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionic acid Analogues
Synthesis and Antibacterial Activity of1-(2-Fluorovinyl)-7-substituted-4-quinolone-3-carboxylic Acid Derivatives,Conformationally Restricted Analogues of Fleroxacin
On the Binding of Indeno[1,2-c]isoquinolines in the DNA−Topoisomerase ICleavage Complex
Design of Benzophenone-Containing Photoactivatable Linear VasopressinAntagonists: Pharmacological and Photoreactive Properties
Adenosine Kinase Inhibitors. 4. 6,8-Disubstituted Purine NucleosideDerivatives. Synthesis, Conformation, and Enzyme Inhibition
Synthesis and Cytotoxic Evaluation of Combretafurazans
http://hub.abes.fr/acs/periodical/jmcmar/2005/volume_48/issue_9/101021jm058193u/w
Symmetrical Bis-Quinolinium Compounds: New Human Choline KinaseInhibitors with Antiproliferative Activity against the HT-29 Cell Line
Ligand-Based Prediction of Active Conformation by 3D-QSAR FlexibilityDescriptors and Their Application in 3+3D-QSAR Models
Structural Requirements for Factor Xa Inhibition by 3-Oxybenzamides withNeutral P1 Substituents: Combining X-ray Crystallography, 3D-QSAR, andTailored Scoring Functions
New Drug Approval Process. Accelerating GlobalRegistrations. 4th Edition Edited by Richard A.Guarino. Marcel Dekker, New York. 2004. xiv + 635 pp.16 × 23.5 cm. ISBN 0824750411. $164.00.
Thermodynamic Analysis of Interactionsbetween N-Linked Sugar Chains andF-Box Protein Fbs1
Calculating Virtual log P in the Alkane/Water System (log PNalk) and Its DerivedParameters Δlog PNoct-alk and log DpHalk
Computational Strategies in Discovering Novel Non-nucleoside Inhibitors ofHIV-1 RT
Thyroid Receptor Ligands. 3. Design andSynthesis of3,5-Dihalo-4-alkoxyphenylalkanoic Acidsas Indirect Antagonists of the ThyroidHormone Receptor
Bisphosphonate Inhibitors of Toxoplasma gondi Growth: In Vitro, QSAR, andIn Vivo Investigations
Identification and Structure−ActivityRelationship of Phenolic AcylHydrazones as Selective Agonists for theEstrogen-Related Orphan NuclearReceptors ERRβ and ERRγ
Enantiomerically Pure Hexahydropyrazinoquinolines as Potent and SelectiveDopamine 3 Subtype Receptor Ligands
Synthesis and Biological Evaluation ofAminopolyamines
Discovery of Diphenyloxazole andNδ-Z-Ornithine Derivatives as HighlyPotent and Selective HumanProstaglandin EP4 Receptor Antagonists
1,5-Diarylpyrrole-3-acetic Acids and Esters as Novel Classes of Potent andHighly Selective Cyclooxygenase-2 Inhibitors
Identification of Novel Low Molecular Weight CXCR4 Antagonists by StructuralTuning of Cyclic Tetrapeptide Scaffolds
1-(5-Chloro-2-alkoxyphenyl)-3-(5-cyano-pyrazi-2-yl)ureas as Potent and SelectiveInhibitors of Chk1 Kinase: Synthesis,Preliminary SAR, and BiologicalActivities
N-Terminal Fatty Acylated His-dPhe-Arg-Trp-NH2 Tetrapeptides: Influence ofFatty Acid Chain Length on Potency and Selectivity at the Mouse MelanocortinReceptors and Human Melanocytes
“In Situ Cross-Docking” ToSimultaneously Address Multiple Targets
Synthesis and Pharmacology of 6-Substituted Benztropines: Discovery of NovelDopamine Uptake Inhibitors Possessing Low Binding Affinity to the DopamineTransporter
Synthesis and in Vitro and in Vivo Antitumor Activity of2-Phenylpyrroloquinolin-4-ones
Discovery of a β-MSH-Derived MC-4RSelective Agonist
Morphiceptin Analogues Containing a Dipeptide Mimetic Structure: AnInvestigation on the Bioactive Topology at the μ-Receptor
Toward a Novel Class of AntithromboticCompounds with Dual Function.Discovery of 1,4-Benzoxazin-3(4H)-oneDerivatives Possessing ThrombinInhibitory and Fibrinogen ReceptorAntagonistic Activities
Class II (IIa)-Selective Histone Deacetylase Inhibitors. 1. Synthesis andBiological Evaluation of Novel (Aryloxopropenyl)pyrrolyl Hydroxyamides
Discovery of 3-[(4,5,7-Trifluorobenzothiazol-2-yl)methyl]indole-N-acetic Acid(Lidorestat) and Congeners as Highly Potent and Selective Inhibitors of AldoseReductase for Treatment of Chronic Diabetic Complications
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