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Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques

Journal of chemical information and modeling, 2007-01, Vol.47 (1), p.92-103

2007

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Quantitative Assessment of Drug Delivery to Tissues and Association with Phospholipidosis: A Case Study with Two Structurally Related Diamines in Development

Molecular pharmaceutics, 2017-12, Vol.14 (12), p.4362-4373

2017

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Key sites for P2X receptor function and multimerization: overview of mutagenesis studies on a structural basis

Current medicinal chemistry, 2015-01, Vol.22 (7), p.799-818

2015

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Cytochrome P450 Classification of Drugs with Support Vector Machines Implementing the Nearest Point Algorithm

Knowledge Exploration in Life Science Informatics, 2004, p.191-205

2004

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Advances in Targeting Voltage-Gated Sodium Channels with Small Molecules

ChemMedChem, 2012-10, Vol.7 (10), p.1712-1740

2012

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Structural heterogeneity of the μ-opioid receptor’s conformational ensemble in the apo state

Scientific reports, 2017-04, Vol.7 (1), p.45761-45761, Article 45761

2017

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Role of the Left Flipper Domain in the Homotrimeric Assembly and Function of P2X Receptors

Biophysical journal, 2018-02, Vol.114 (3), p.127a-127a

2018

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Thiol dependent intramolecular locking of Orai1 channels

Scientific reports, 2016-09, Vol.6 (1), p.33347-33347, Article 33347

2016

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Heteromeric assembly of P2X subunits

Frontiers in cellular neuroscience, 2013-12, Vol.7, p.250-250

2013

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Structural Prediction of the Dimeric Form of the Mammalian Translocator Membrane Protein TSPO: A Key Target for Brain Diagnostics

International journal of molecular sciences, 2018-08, Vol.19 (9), p.2588

2018

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Structural Determinants for the Binding of Morphinan Agonists to the μ-Opioid Receptor

PloS one, 2015-08, Vol.10 (8), p.e0135998-e0135998

2015

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Discovery of a Potent Analgesic NOP and Opioid Receptor Agonist: Cebranopadol

ACS medicinal chemistry letters, 2014-08, Vol.5 (8), p.857-862

2014

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Molecular determinants of potent P2X2 antagonism identified by functional analysis, mutagenesis, and homology docking

Molecular pharmacology, 2011-04, Vol.79 (4), p.649-661

2011

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Salt bridge switching from Arg290/Glu167 to Arg290/ATP promotes the closed-to-open transition of the P2X2 receptor

Molecular pharmacology, 2013-01, Vol.83 (1), p.73-84

2013

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Discovery of Spiro[cyclohexane-dihydropyrano[3,4‑b]indole]-amines as Potent NOP and Opioid Receptor Agonists

ACS medicinal chemistry letters, 2014-08, Vol.5 (8), p.851-856

2014

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Origin of the Preference for the Orbital Symmetry Forbidden Stereochemistry of the 1,5-Sigmatropic Shift of Substituted Norcaradienes

Journal of the American Chemical Society, 1999-05, Vol.121 (18), p.4524-4525

1999

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Construction of chiral Ti(IV)–Rh(I)–salenophos complexes and their application in the asymmetric hydroformylation of functionalised olefins

Tetrahedron: asymmetry, 1999-05, Vol.10 (9), p.1803-1811

1999

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Computational chemistry using the PC

Zeitschrift für physikalische Chemie (Neue Folge), 1996-01, Vol.193 (1), p.222-222

Kless, A.

1996

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The first chiral early-late heterobimetallic complex — A titanium(IV)-palladium(II) complex based on salenophos

Tetrahedron, 1996-11, Vol.52 (46), p.14599-14606

1996

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Ab Initio Studies of Rhodium(I)−N-Alkenylamide Complexes with cis- and trans-Coordinating Phosphines: Relevance for the Mechanism of Catalytic Asymmetric Hydrogenation of Prochiral Dehydroamino Acids

Organometallics, 1997-05, Vol.16 (10), p.2096-2100

1997

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Chiral phosphinephosphites having axial and central chirality in asymmetric hydroformylations

Tetrahedron: asymmetry, 1996, Vol.7 (1), p.33-36

1996

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Hydroxyalkylphosphines in asymmetric hydrogenations

Tetrahedron: asymmetry, 1995-08, Vol.6 (8), p.1973-1988

1995

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Origin of the Preference for the Orbital Symmetry Forbidden Stereochemisty of the 1,5-Sigmatropic Shift of Substituted Norcaradienes [J. Am. Chem. Soc. 1999, 121, 4524−4525]

Journal of the American Chemical Society, 1999-08, Vol.121 (31), p.7278-7278

1999

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A new chiral multidentate ligand for asymmetric catalysis

Tetrahedron letters, 1995-06, Vol.36 (26), p.4601-4602

1995

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An Efficient Strategy for the Synthesis of New Chiral and Prochiral Trisphosphines

Synlett, 1996-03, Vol.1996 (3), p.267-269

1996

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Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques

Quantitative Assessment of Drug Delivery to Tissues and Association with Phospholipidosis: A Case Study with Two Structurally Related Diamines in Development

Key sites for P2X receptor function and multimerization: overview of mutagenesis studies on a structural basis

Cytochrome P450 Classification of Drugs with Support Vector Machines Implementing the Nearest Point Algorithm

Advances in Targeting Voltage-Gated Sodium Channels with Small Molecules

Structural heterogeneity of the μ-opioid receptor’s conformational ensemble in the apo state

Role of the Left Flipper Domain in the Homotrimeric Assembly and Function of P2X Receptors

Thiol dependent intramolecular locking of Orai1 channels

Heteromeric assembly of P2X subunits

Structural Prediction of the Dimeric Form of the Mammalian Translocator Membrane Protein TSPO: A Key Target for Brain Diagnostics

Structural Determinants for the Binding of Morphinan Agonists to the μ-Opioid Receptor

Discovery of a Potent Analgesic NOP and Opioid Receptor Agonist: Cebranopadol

Molecular determinants of potent P2X2 antagonism identified by functional analysis, mutagenesis, and homology docking

Salt bridge switching from Arg290/Glu167 to Arg290/ATP promotes the closed-to-open transition of the P2X2 receptor

Discovery of Spiro[cyclohexane-dihydropyrano[3,4‑b]indole]-amines as Potent NOP and Opioid Receptor Agonists

Origin of the Preference for the Orbital Symmetry Forbidden Stereochemistry of the 1,5-Sigmatropic Shift of Substituted Norcaradienes

Construction of chiral Ti(IV)–Rh(I)–salenophos complexes and their application in the asymmetric hydroformylation of functionalised olefins

Computational chemistry using the PC

The first chiral early-late heterobimetallic complex — A titanium(IV)-palladium(II) complex based on salenophos

Ab Initio Studies of Rhodium(I)−N-Alkenylamide Complexes with cis- and trans-Coordinating Phosphines: Relevance for the Mechanism of Catalytic Asymmetric Hydrogenation of Prochiral Dehydroamino Acids

Chiral phosphinephosphites having axial and central chirality in asymmetric hydroformylations

Hydroxyalkylphosphines in asymmetric hydrogenations

Origin of the Preference for the Orbital Symmetry Forbidden Stereochemisty of the 1,5-Sigmatropic Shift of Substituted Norcaradienes [J. Am. Chem. Soc. 1999, 121, 4524−4525]

A new chiral multidentate ligand for asymmetric catalysis

An Efficient Strategy for the Synthesis of New Chiral and Prochiral Trisphosphines

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