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SwissTargetPrediction: a web server for target prediction of bioactive small molecules

Nucleic acids research, 2014-07, Vol.42 (Web Server issue), p.W32-W38

2014

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SwissParam: A fast force field generation tool for small organic molecules

Journal of computational chemistry, 2011-08, Vol.32 (11), p.2359-2368

2011

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Fast docking using the CHARMM force field with EADock DSS

Journal of computational chemistry, 2011-07, Vol.32 (10), p.2149-2159

2011

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SwissDock, a protein-small molecule docking web service based on EADock DSS

Nucleic acids research, 2011-07, Vol.39 (Web Server issue), p.W270-W277

2011

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Rational Design of 4-Aryl-1,2,3-Triazoles for Indoleamine 2,3-Dioxygenase 1 Inhibition

Journal of medicinal chemistry, 2012-06, Vol.55 (11), p.5270-5290

2012

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Docking, virtual high throughput screening and in silico fragment‐based drug design

Journal of cellular and molecular medicine, 2009-02, Vol.13 (2), p.238-248

2009

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EADock: Docking of small molecules into protein active sites with a multiobjective evolutionary optimization

Proteins, structure, function, and bioinformatics, 2007-06, Vol.67 (4), p.1010-1025

2007

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Rational Design of Indoleamine 2,3-Dioxygenase Inhibitors

Journal of medicinal chemistry, 2010-02, Vol.53 (3), p.1172-1189

2010

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Blind docking of 260 protein-ligand complexes with EADock 2.0

Journal of computational chemistry, 2009-10, Vol.30 (13), p.2021-2030

2009

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Structural Diversity of Heparan Sulfate Binding Domains in Chemokines

Proceedings of the National Academy of Sciences - PNAS, 2002-02, Vol.99 (3), p.1229-1234

2002

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The Endocrine Disruptor Monoethyl-hexyl-phthalate Is a Selective Peroxisome Proliferator-activated Receptor γ Modulator That Promotes Adipogenesis

The Journal of biological chemistry, 2007-06, Vol.282 (26), p.19152-19166

2007

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Identification of human IKK-2 inhibitors of natural origin (part I): modeling of the IKK-2 kinase domain, virtual screening and activity assays

PloS one, 2011-02, Vol.6 (2), p.e16903-e16903

2011

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Docking to heme proteins

Journal of computational chemistry, 2009-11, Vol.30 (14), p.2305-2315

2009

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Use of the FACTS solvation model for protein-ligand docking calculations. Application to EADock

Journal of molecular recognition, 2010-09, Vol.23 (5), p.457-461

2010

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ExPASy: SIB bioinformatics resource portal

Nucleic acids research, 2012-07, Vol.40 (Web Server issue), p.W597-W603

2012

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Identification of human IKK-2 inhibitors of natural origin (Part II): In Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity

European journal of medicinal chemistry, 2011-12, Vol.46 (12), p.6098-6103

2011

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Local alignment refinement using structural assessment

PloS one, 2008-07, Vol.3 (7), p.e2645-e2645

2008

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Combined Simulation and Mutagenesis Analyses Reveal the Involvement of Key Residues for Peroxisome Proliferator-activated Receptorα Helix 12 Dynamic Behavior

The Journal of biological chemistry, 2007-03, Vol.282 (13), p.9666-9677

2007

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In vitro biotransformation of imatinib by the tumor expressed CYP1A1 and CYP1B1

Biopharmaceutics & drug disposition, 2008-03, Vol.29 (2), p.103-118

2008

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Characterization of the Stromal Cell-derived Factor-1α-Heparin Complex

The Journal of biological chemistry, 2001-03, Vol.276 (11), p.8288-8296

2001

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Structural and Functional Interaction Sites between Na,K-ATPase and FXYD Proteins

The Journal of biological chemistry, 2004-09, Vol.279 (37), p.38895-38902

2004

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Peroxisome proliferator-activated receptor structures: Ligand specificity, molecular switch and interactions with regulators

Biochimica et biophysica acta, 2007-08, Vol.1771 (8), p.915-925

2007

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Identification of Human IKK-2 Inhibitors of Natural Origin

PloS one, 2011-02, Vol.6 (2), p.e16903

2011

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APDB: a novel measure for benchmarking sequencealignment methods without reference alignments

Bioinformatics, 2003-07, Vol.19 (suppl-1), p.i215-i221

2003

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Characterization of the stromal cell-derived factor-1alpha-heparin complex

The Journal of biological chemistry, 2001-03, Vol.276 (11), p.8288-96

2001

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SwissTargetPrediction: a web server for target prediction of bioactive small molecules

SwissParam: A fast force field generation tool for small organic molecules

Fast docking using the CHARMM force field with EADock DSS

SwissDock, a protein-small molecule docking web service based on EADock DSS

Rational Design of 4-Aryl-1,2,3-Triazoles for Indoleamine 2,3-Dioxygenase 1 Inhibition

Docking, virtual high throughput screening and in silico fragment‐based drug design

EADock: Docking of small molecules into protein active sites with a multiobjective evolutionary optimization

Rational Design of Indoleamine 2,3-Dioxygenase Inhibitors

Blind docking of 260 protein-ligand complexes with EADock 2.0

Structural Diversity of Heparan Sulfate Binding Domains in Chemokines

The Endocrine Disruptor Monoethyl-hexyl-phthalate Is a Selective Peroxisome Proliferator-activated Receptor γ Modulator That Promotes Adipogenesis

Identification of human IKK-2 inhibitors of natural origin (part I): modeling of the IKK-2 kinase domain, virtual screening and activity assays

Docking to heme proteins

Use of the FACTS solvation model for protein-ligand docking calculations. Application to EADock

ExPASy: SIB bioinformatics resource portal

Identification of human IKK-2 inhibitors of natural origin (Part II): In Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity

Local alignment refinement using structural assessment

Combined Simulation and Mutagenesis Analyses Reveal the Involvement of Key Residues for Peroxisome Proliferator-activated Receptorα Helix 12 Dynamic Behavior

In vitro biotransformation of imatinib by the tumor expressed CYP1A1 and CYP1B1

Characterization of the Stromal Cell-derived Factor-1α-Heparin Complex

Structural and Functional Interaction Sites between Na,K-ATPase and FXYD Proteins

Peroxisome proliferator-activated receptor structures: Ligand specificity, molecular switch and interactions with regulators

Identification of Human IKK-2 Inhibitors of Natural Origin

APDB: a novel measure for benchmarking sequencealignment methods without reference alignments

Characterization of the stromal cell-derived factor-1alpha-heparin complex

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