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Drug discovery / Bioinformatics / Medicinal chemistry / Protein structure / Enzymes / Histidine decarboxylase / Ornithine decarboxylase / Virtual screening / Drug design / Chemistry / Biology / Science


Structural features of mammalian histidine decarboxylase reveal the basis for specific inhibition
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Document Date: 2015-05-25 09:53:34

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City

Pharmacophore / Madrid / San Francisco / Langendorf / Fernandes / Málaga / Kuntz / Valencia / San Carlos / Kollman / /

Company

Fleming / Protein Data Bank / OpenEye Scientific Software Inc. / Pegg AE / Kellogg / GE / Goldman / Mead / Sun / Mark AE / /

Country

Spain / /

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Event

Business Partnership / /

Facility

Barcelona Supercomputing Center / University of California / /

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active site / chemical libraries / energy minimization / macromolecular systems / biotechnology / free energy / rational chemical combinations / chemical language / validation protocol / histamine systems / biomedical applications / natural products / homology modelling protocol / energy values / computer technology / et al site / metal atoms / closed active site / recent applications / similar total binding energy values / Food components / molecular systems / target active site / chemical structures / energy / chemical reactions / empirical binding free energy function / minimum energy configuration / genetic algorithm / catalytic site / chemical entities / food intake / command line utilities / particular protocol / chemicals / highthroughput screening protocols / chemical modifications / macromolecular energy / limiting the active site / /

MedicalCondition

allergic inflammation / immunological and cardiovascular disease / allergic diseases / schizophrenia / disease / allergy / diseases / inflammatory responses / /

MedicalTreatment

radiation / /

NaturalFeature

Kasaian MT / Olmo MT / /

OperatingSystem

Linux / /

Organization

University of California / Barcelona Supercomputing Center / /

Person

Sali / Ai / Nicolás Cabrera / Med Chem / Sanchez-Jimenez F Histidine / John / /

Position

implicit solvent model for protein-ligand docking / high-quality structural model for HDC / /

Product

Deliv Rev 46 / /

ProgrammingLanguage

XML / /

ProvinceOrState

California / /

PublishedMedium

The Authors Journal / British Journal of Pharmacology / /

RadioStation

Wollacott AM / Lesk AM / Davis AM / Capelli AM / Buckle AM / /

Technology

radiation / drug metabolism / XML / VSDMIP protocol / X-ray / computer-aided drug discovery / 3-D / Linux / biotechnology / high-throughput screening / Lamarckian genetic algorithm / computer technology / VS protocol / chemical libraries / drug discovery / thermodynamics / Structural Genomics / validation protocol / particular protocol / drug design / simulation / drug development / highthroughput screening protocols / homology modelling protocol / /

URL

www.brjpharmacol.org / /

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