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Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock

Journal of cheminformatics, 2009-09, Vol.1 (1), p.15-15, Article 15

2009

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Structure and function of the human breast cancer resistance protein (BCRP/ABCG2)

Current drug metabolism, 2010-09, Vol.11 (7), p.603-617

2010

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Homology modeling of breast cancer resistance protein (ABCG2)

Journal of structural biology, 2008-04, Vol.162 (1), p.63-74

2008

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Inhibition of hypoxia-inducible factor 1 with acriflavine sensitizes hypoxic tumor cells to photodynamic therapy with zinc phthalocyanine-encapsulating cationic liposomes

Nano research, 2016-06, Vol.9 (6), p.1639-1662

2016

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Probing the binding of the flavonoid, quercetin to human serum albumin by circular dichroism, electronic absorption spectroscopy and molecular modelling methods

Biochemical pharmacology, 2003-02, Vol.65 (3), p.447-456

2003

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Predicting substrates of the human breast cancer resistance protein using a support vector machine method

BMC bioinformatics, 2013-04, Vol.14 (1), p.130-130, Article 130

2013

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Predicting P-glycoprotein-mediated drug transport based on support vector machine and three-dimensional crystal structure of P-glycoprotein

PloS one, 2011-10, Vol.6 (10), p.e25815

2011

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Circular dichroism spectroscopic studies reveal pH dependent binding of curcumin in the minor groove of natural and synthetic nucleic acids

Organic & biomolecular chemistry, 2004-10, Vol.2 (20), p.2902-2910

2004

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In silico description of differential enantioselectivity in methoxychlor O-demethylation by CYP2C enzymes

Biochimica et biophysica acta, 2008-09, Vol.1780 (9), p.1070-1079

2008

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Complex activities of the human Bloom's syndrome helicase are encoded in a core region comprising the RecA and Zn-binding domains

Nucleic acids research, 2012-05, Vol.40 (9), p.3952-3963

2012

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Identification of a Polyoxometalate Inhibitor of the DNA Binding Activity of Sox2

ACS chemical biology, 2011-06, Vol.6 (6), p.573-581

2011

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Syntheses and antiproliferative effects of d-homo- and d-secoestrones

Steroids, 2014-09, Vol.87, p.128-136

2014

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Molecular modeling of the non-covalent binding of the dietary tomato carotenoids lycopene and lycophyll, and selected oxidative metabolites with 5-lipoxygenase

Bioorganic & medicinal chemistry, 2006-10, Vol.14 (20), p.6859-6867

2006

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Retinoic acid binding properties of the lipocalin member β-lactoglobulin studied by circular dichroism, electronic absorption spectroscopy and molecular modeling methods

Biochemical pharmacology, 2002-12, Vol.64 (11), p.1651-1660

2002

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Molecular modeling of non-covalent binding of homochiral (3 S,3′ S)-astaxanthin to matrix metalloproteinase-13 (MMP-13)

Bioorganic & medicinal chemistry, 2006-08, Vol.14 (16), p.5451-5458

2006

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Functional adaptation of the switch-2 nucleotide sensor enables rapid processive translocation by myosin-5

The FASEB journal, 2010-11, Vol.24 (11), p.4480-4490

2010

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Probing protein binding sites by circular dichroism spectroscopy

Current drug discovery technologies, 2004-06, Vol.1 (2), p.133-153

2004

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Evaluation of drug-human serum albumin binding interactions with support vector machine aided online automated docking

Bioinformatics, 2011-07, Vol.27 (13), p.1806-1813

2011

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Muscarinic and nicotinic cholinergic agonists: structural analogies and discrepancies

Current medicinal chemistry, 2003-12, Vol.10 (23), p.2611-2620

2003

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Aggregation of Cyclodextrins as an Important Factor to Determine Their Complexation Behavior

Chemistry & biodiversity, 2006-11, Vol.3 (11), p.1266-1278

2006

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Functional and structural characterization of a protein based on analysis of its hydrogen bonding network by hydrogen bonding plot

Archives of biochemistry and biophysics, 2007-05, Vol.461 (2), p.225-234

2007

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Molecular Modeling of Enantioseparation of Phenylazetidin Derivatives by Cyclodextrins

Chromatographia, 2010-06, Vol.71 (Suppl 1), p.21-28

2010

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The effects of oral Cardax™ (disodium disuccinate astaxanthin) on multiple independent oxidative stress markers in a mouse peritoneal inflammation model: influence on 5-lipoxygenase in vitro and in vivo

Life sciences (1973), 2006-06, Vol.79 (2), p.162-174

2006

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Cyclodextrin complexes: chiral recognition and complexation behaviour

Current drug discovery technologies, 2007-12, Vol.4 (4), p.282-294

2007

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Structure and stereochemistry of novel ecdysteroids from the roots of Serratula wolffii

Magnetic resonance in chemistry, 2010-05, Vol.48 (5), p.386-391

2010

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Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock

Structure and function of the human breast cancer resistance protein (BCRP/ABCG2)

Homology modeling of breast cancer resistance protein (ABCG2)

Inhibition of hypoxia-inducible factor 1 with acriflavine sensitizes hypoxic tumor cells to photodynamic therapy with zinc phthalocyanine-encapsulating cationic liposomes

Probing the binding of the flavonoid, quercetin to human serum albumin by circular dichroism, electronic absorption spectroscopy and molecular modelling methods

Predicting substrates of the human breast cancer resistance protein using a support vector machine method

Predicting P-glycoprotein-mediated drug transport based on support vector machine and three-dimensional crystal structure of P-glycoprotein

Circular dichroism spectroscopic studies reveal pH dependent binding of curcumin in the minor groove of natural and synthetic nucleic acids

In silico description of differential enantioselectivity in methoxychlor O-demethylation by CYP2C enzymes

Complex activities of the human Bloom's syndrome helicase are encoded in a core region comprising the RecA and Zn-binding domains

Identification of a Polyoxometalate Inhibitor of the DNA Binding Activity of Sox2

Syntheses and antiproliferative effects of d-homo- and d-secoestrones

Molecular modeling of the non-covalent binding of the dietary tomato carotenoids lycopene and lycophyll, and selected oxidative metabolites with 5-lipoxygenase

Retinoic acid binding properties of the lipocalin member β-lactoglobulin studied by circular dichroism, electronic absorption spectroscopy and molecular modeling methods

Molecular modeling of non-covalent binding of homochiral (3 S,3′ S)-astaxanthin to matrix metalloproteinase-13 (MMP-13)

Functional adaptation of the switch-2 nucleotide sensor enables rapid processive translocation by myosin-5

Probing protein binding sites by circular dichroism spectroscopy

Evaluation of drug-human serum albumin binding interactions with support vector machine aided online automated docking

Muscarinic and nicotinic cholinergic agonists: structural analogies and discrepancies

Aggregation of Cyclodextrins as an Important Factor to Determine Their Complexation Behavior

Functional and structural characterization of a protein based on analysis of its hydrogen bonding network by hydrogen bonding plot

Molecular Modeling of Enantioseparation of Phenylazetidin Derivatives by Cyclodextrins

The effects of oral Cardax™ (disodium disuccinate astaxanthin) on multiple independent oxidative stress markers in a mouse peritoneal inflammation model: influence on 5-lipoxygenase in vitro and in vivo

Cyclodextrin complexes: chiral recognition and complexation behaviour

Structure and stereochemistry of novel ecdysteroids from the roots of Serratula wolffii

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