Martin Smiesko : rechercher sur Z-Library

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1

Noscapine Derivatives as New Chiral Catalysts in Asymmetric Synthesis: Highly Enantioselective Addition of Diethylzinc to Aldehydes

Mohebbi, Maryam, Bararjanian, Morteza, Ebrahimi, Samad, Smieško, Martin, Salehi, Peyman

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 1014 KB

english, 2018

2

Pre-organization of the Core Structure of E-Selectin Antagonists

Dr. Daniel Schwizer, Dr. John T. Patton, Dr. Brian Cutting, Dr. Martin Smieško, Beatrice Wagner, Dr. Ako Kato, Dr. Céline Weckerle, Florian P. C. Binder, Dr. Said Rabbani, Dr. Oliver Schwardt, Dr. Joh

Journal:

Chemistry - A European Journal

Année:

2012

Langue:

english

Fichier:

PDF, 1.00 MB

english, 2012

3

Probing the carbohydrate recognition domain of E-selectin: The importance of the acid orientation in sLex mimetics

Alexander Titz, John Patton, Martin Smiesko, Zorana Radic, Oliver Schwardt, John L. Magnani, Beat Ernst

Journal:

Bioorganic & Medicinal Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2010

4

Thermodynamic Insights into Effects of Water Displacement and Rearrangement upon Ligand Modification using Molecular Dynamics Simulations

Wahl, Joel, Smiesko, Martin

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 1.97 MB

english, 2018

5

Molecular Dynamics Simulations Reveal Structural Differences Among Allelic Variants of Membrane-Anchored Cytochrome P450 2D6

Fischer, André, Don, Charleen, Smiesko, Martin

Journal:

Journal of Chemical Information and Modeling

Année:

2018

Langue:

english

Fichier:

PDF, 1.97 MB

english, 2018

6

Microsecond MD simulations of human CYP2D6 wild-type and five allelic variants reveal mechanistic insights on the function

Don, Charleen G., Smieško, Martin, Machuqueiro, Miguel

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 14.07 MB

english, 2018

7

Predictive Models for Aquatic Toxicity of Aldehydes Designed for Various Model Chemistries.

Martin Smiesko, Emilio Benfenati

Journal:

Année:

2004

Fichier:

PDF, 81 KB

2004

8

Mixed-Model QSAR at the Glucocorticoid Receptor: Predicting the Binding Mode and Affinity of Psychotropic Drugs

Morena Spreafico, Beat Ernst, Markus A. Lill, Martin Smiesko, Angelo Vedani

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 1.29 MB

english, 2009

9

Probing Small-Molecule Binding to Cytochrome P450 2D6 and 2C9: An In Silico Protocol for Generating Toxicity Alerts

Gianluca Rossato, Prof. Beat Ernst, Dr. Martin Smiesko, Dr. Morena Spreafico, Prof. Angelo Vedani

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 1.64 MB

english, 2010

10

Probing Small-Molecule Binding to the Liver-X Receptor: A Mixed-Model QSAR Study

Morena Spreafico, Martin Smiesko, Ourania Peristera, Gianluca Rossato, Angelo Vedani

Journal:

Molecular Informatics

Année:

2010

Langue:

english

Fichier:

PDF, 958 KB

english, 2010

11

Mimetics of the tri- and tetrasaccharide epitope of GQ1bα as myelin-associated glycoprotein (MAG) ligands

Ganpan Gao, Martin Smiesko, Oliver Schwardt, Heiko Gäthje, Soerge Kelm, Angelo Vedani, Beat Ernst

Journal:

Bioorganic & Medicinal Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 336 KB

english, 2007

12

Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists

Oliver Schwardt, Said Rabbani, Margrit Hartmann, Daniela Abgottspon, Matthias Wittwer, Simon Kleeb, Adam Zalewski, Martin Smieško, Brian Cutting, Beat Ernst

Journal:

Bioorganic & Medicinal Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2011

13

Identification of GABA A receptor modulators in Kadsura longipedunculata and assignment of absolute configurations by quantum-chemical ECD calculations

Janine Zaugg, Samad Nejad Ebrahimi, Martin Smiesko, Igor Baburin, Steffen Hering, Matthias Hamburger

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 1.42 MB

english, 2011

14

VirtualToxLab — A platform for estimating the toxic potential of drugs, chemicals and natural products

Angelo Vedani, Max Dobler, Martin Smieško

Journal:

Toxicology and Applied Pharmacology

Année:

2012

Langue:

english

Fichier:

PDF, 2.53 MB

english, 2012

15

Theoretical study of mexiletine and its interaction with cationic and anionic receptor sites

Milan Remko, Martin Smieško, Adriána Beňová

Journal:

Année:

1999

Langue:

english

Fichier:

PDF, 131 KB

english, 1999

16

Conformational Constraints: Nature Does It Best with Sialyl Lewisx

Alexander Titz, Alberto Marra, Brian Cutting, Martin Smieško, George Papandreou, Alessandro Dondoni, Beat Ernst

Journal:

European Journal of Organic Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 648 KB

english, 2012

17

Development of an aggregation assay to screen FimH antagonists

Daniela Abgottspon, Gina Rölli, Lucie Hosch, Andrea Steinhuber, Xiaohua Jiang, Oliver Schwardt, Brian Cutting, Martin Smiesko, Urs Jenal, Beat Ernst, Andrej Trampuz

Journal:

Journal of Microbiological Methods

Année:

2010

Langue:

english

Fichier:

PDF, 836 KB

english, 2010

18

Bisabololoxide derivatives from Artemisia persica, and determination of their absolute configurations by ECD

Fahimeh Moradi-Afrapoli, Samad Nejad Ebrahimi, Martin Smiesko, Melanie Raith, Stefanie Zimmermann, Farsad Nadjafi, Reto Brun, Matthias Hamburger

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 1.27 MB

english, 2013

19

Mixed-model QSAR at the human mineralocorticoid receptor: Predicting binding mode and affinity of anabolic steroids

Ourania Peristera, Morena Spreafico, Martin Smiesko, Beat Ernst, Angelo Vedani

Journal:

Toxicology Letters

Année:

2009

Langue:

english

Fichier:

PDF, 1.42 MB

english, 2009

20

DOLINA – Docking Based on a Local Induced-Fit Algorithm: Application toward Small-Molecule Binding to Nuclear Receptors

Smieško, Martin

Journal:

Journal of Chemical Information and Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 1.81 MB

english, 2013

21

Stabilization of Branched Oligosaccharides: Lewis x Benefits from a Nonconventional C–H···O Hydrogen Bond

Zierke, Mirko, Smieško, Martin, Rabbani, Said, Aeschbacher, Thomas, Cutting, Brian, Allain, Frédéric H.-T., Schubert, Mario, Ernst, Beat

Journal:

Journal of the American Chemical Society

Année:

2013

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2013

22

pKa determination by 1H NMR spectroscopy – An old methodology revisited

Bezençon, Jacqueline, Wittwer, Matthias B., Cutting, Brian, Smieško, Martin, Wagner, Bjoern, Kansy, Manfred, Ernst, Beat

Journal:

Journal of Pharmaceutical and Biomedical Analysis

Année:

2014

Langue:

english

Fichier:

PDF, 4.35 MB

english, 2014

23

Reviews and Notices of Books.

Vedani, Angelo, Smiesko, Martin

Journal:

Année:

1852

Langue:

english

Fichier:

PDF, 373 KB

english, 1852

24

VirtualToxLab – insilico prediction if the toxic potential of drugs and chemicals

Vedani, Angelo, Smiesko, Martin

Journal:

Toxicology Letters

Année:

2013

Langue:

english

Fichier:

PDF, 61 KB

english, 2013

25

Development and validation of a LC–MS/MS method for assessment of an anti-inflammatory indolinone derivative by in vitro blood–brain barrier models

Jähne, Evelyn A., Eigenmann, Daniela E., Culot, Maxime, Cecchelli, Roméo, Walter, Fruzsina R., Deli, Mária A., Tremmel, Robin, Fricker, Gert, Smiesko, Martin, Hamburger, Matthias, Oufir, Mouhssin

Journal:

Journal of Pharmaceutical and Biomedical Analysis

Année:

2014

Langue:

english

Fichier:

PDF, 2.65 MB

english, 2014

26

Preliminary Analysis of Toxicity of Benzoxazinones and Their Metabolites for Folsomia candida

Lo Piparo, Elena, Smiesko, Martin, Mazzatorta, Paolo, Benfenati, Emilio, Idinger, Jacqueline, Blümel, Sylvia

Journal:

Journal of Agricultural and Food Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 107 KB

english, 2006

27

QSAR Models for Daphnia magna Toxicity Prediction of Benzoxazinone Allelochemicals and Their Transformation Products

Lo Piparo, Elena, Fratev, Filip, Lemke, Frank, Mazzatorta, Paolo, Smiesko, Martin, Fritz, Jona Ines, Benfenati, Emilio

Journal:

Journal of Agricultural and Food Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 56 KB

english, 2006

28

Thermodynamic Descriptors Derived from Density Functional Theory Calculations in Prediction of Aquatic Toxicity

Smieško, Martin, Benfenati, Emilio

Journal:

Journal of Chemical Information and Modeling

Année:

2005

Langue:

english

Fichier:

PDF, 157 KB

english, 2005

29

QSAR Model for Predicting Pesticide Aquatic Toxicity

Mazzatorta, Paolo, Smiesko, Martin, Lo Piparo, Elena, Benfenati, Emilio

Journal:

Journal of Chemical Information and Modeling

Année:

2005

Langue:

english

Fichier:

PDF, 246 KB

english, 2005

30

OpenVirtualToxLab—A platform for generating and exchanging in silico toxicity data

Vedani, Angelo, Dobler, Max, Hu, Zhenquan, Smieško, Martin

Journal:

Toxicology Letters

Année:

2015

Langue:

english

Fichier:

PDF, 6.42 MB

english, 2015

31

Accurate Aqueous Proton Dissociation Constants Calculations for Selected Angiotensin-Converting Enzyme Inhibitors

Sramko, Martin, Smiesko, Martin, Remko, Milan

Journal:

Journal of Biomolecular Structure and Dynamics

Année:

2008

Langue:

english

Fichier:

PDF, 577 KB

english, 2008

32

Coordination and Thermodynamics of Stable Zn(II) Complexes in the Gas Phase

Smiesko, Martin, Remko, Milan

Journal:

Journal of Biomolecular Structure and Dynamics

Année:

2003

Langue:

english

Fichier:

PDF, 530 KB

english, 2003

33

A Molecular-Modeling Toolbox Aimed at Bridging the Gap between Medicinal Chemistry and Computational Sciences

Eid, Sameh, Zalewski, Adam, Smieško, Martin, Ernst, Beat, Vedani, Angelo

Journal:

International Journal of Molecular Sciences

Année:

2013

Langue:

english

Fichier:

PDF, 3.17 MB

english, 2013

34

Abietane Diterpenoids from Salvia sahendica – Antiprotozoal Activity and Determination of Their Absolute Configurations

Ebrahimi, Samad, Zimmermann, Stefanie, Zaugg, Janine, Smiesko, Martin, Brun, Reto, Hamburger, Matthias

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 265 KB

english, 2013

35

Validation of an immortalized human (hBMEC) in vitro blood-brain barrier model

Eigenmann, Daniela Elisabeth, Jähne, Evelyn Andrea, Smieško, Martin, Hamburger, Matthias, Oufir, Mouhssin

Journal:

Analytical and Bioanalytical Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 640 KB

english, 2016

36

VirtualToxLab – in silico Prediction of the Endocrine-Disrupting Potential of Drugs and Chemicals

Vedani, Angelo, Spreafico, Morena, Peristera, Ourania, Dobler, Max, Smiesko, Martin

Journal:

CHIMIA International Journal for Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2008

37

In vitro blood-brain barrier permeability predictions for GABAA receptor modulating piperine analogs

Eigenmann, Daniela Elisabeth, Dürig, Carmen, Jähne, Evelyn Andrea, Smieško, Martin, Culot, Maxime, Gosselet, Fabien, Cecchelli, Romeo, Helms, Hans Christian Cederberg, Brodin, Birger, Wimmer, Laurin,

Journal:

European Journal of Pharmaceutics and Biopharmaceutics

Année:

2016

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2016

38

Substituent effects on gas-phase acidities of formic acid and its silicon and sulphur derivatives R − M(= X)XH(M = C., Si; X = O, S; R = H, F, CI, OH, NH 2 and CH 3 )

REMKO, MILAN, SMIEŠKO, MARTIN, VAN DUIJNEN, PIET TH.

Journal:

Molecular Physics

Année:

2000

Langue:

english

Fichier:

PDF, 643 KB

english, 2000

39

Pharmacokinetics and In Vitro Blood-Brain Barrier Screening of the Plant-Derived Alkaloid Tryptanthrin

Jähne, Evelyn, Eigenmann, Daniela, Sampath, Chethan, Butterweck, Veronika, Culot, Maxime, Cecchelli, Roméo, Gosselet, Fabien, Walter, Fruzsina, Deli, Mária, Smieško, Martin, Hamburger, Matthias, Oufir

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 237 KB

english, 2016

40

Validation of UHPLC-MS/MS methods for the determination of kaempferol and its metabolite 4-hydroxyphenyl acetic acid, and application to in vitro blood-brain barrier and intestinal drug permeability studies

Moradi-Afrapoli, Fahimeh, Oufir, Mouhssin, Walter, Fruzsina R., Deli, Maria A., Smiesko, Martin, Zabela, Volha, Butterweck, Veronika, Hamburger, Matthias

Journal:

Journal of Pharmaceutical and Biomedical Analysis

Année:

2016

Langue:

english

Fichier:

PDF, 1.43 MB

english, 2016

41

Labdane Diterpenoids from Salvia leriifolia: Absolute Configuration, Antimicrobial and Cytotoxic Activities

Farimani, Mahdi, Taleghani, Akram, Aliabadi, Abbas, Aliahmadi, Atousa, Esmaeili, Mohammad, Namazi Sarvestani, Nazanin, Khavasi, Hamid, Smieško, Martin, Hamburger, Matthias, Nejad Ebrahimi, Samad

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 246 KB

english, 2016

42

Caco-2 Permeability Studies and In Vitro hERG Liability Assessment of Tryptanthrin and Indolinone

Jähne, Evelyn, Eigenmann, Daniela, Moradi-Afrapoli, Fahimeh, Verjee, Sheela, Butterweck, Veronika, Hebeisen, Simon, Hettich, Timm, Schlotterbeck, Götz, Smieško, Martin, Hamburger, Matthias, Oufir, Mou

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 245 KB

english, 2016

43

Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity

Navarra, Giulio, Zihlmann, Pascal, Jakob, Roman P., Stangier, Katja, Preston, Roland C., Rabbani, Said, Smiesko, Martin, Wagner, Bea, Maier, Timm, Ernst, Beat

Journal:

Année:

2017

Langue:

english

Fichier:

PDF, 2.13 MB

english, 2017

44

HPLC-Based Activity Profiling for GABA A Receptor Modulators in Extracts: Validation of an Approach Utilizing a Larval Zebrafish Locomotor Assay

Moradi-Afrapoli, Fahimeh, Ebrahimi, Samad Nejad, Smiesko, Martin, Hamburger, Matthias

Journal:

Journal of Natural Products

Année:

2017

Langue:

english

Fichier:

PDF, 3.93 MB

english, 2017

45

Searching for bioactive conformations of drug-like ligands with current force fields: how good are we?

Gürsoy, Oya, Smieško, Martin

Journal:

Journal of Cheminformatics

Année:

2017

Langue:

english

Fichier:

PDF, 2.09 MB

english, 2017

46

A secondary structure element present in a wide range of fucosylated glycoepitopes

Schubert, Mario, Aeschbacher, Thomas, Zierke, Mirko, Smieško, Martin, Collot, Mayeul, Mallet, Jean-Maurice, Ernst, Beat, Allain, Frédéric H.-T.

Journal:

Chemistry - A European Journal

Année:

2017

Langue:

english

Fichier:

PDF, 3.88 MB

english, 2017

47

Andrographolide-loaded nanoparticles for brain delivery: Formulation, characterisation and in vitro permeability using hCMEC/D3 cell line

Guccione, Clizia, Oufir, Mouhssin, Piazzini, Vieri, Eigenmann, Daniela Elisabeth, Jähne, Evelyn Andrea, Zabela, Volha, Faleschini, Maria Teresa, Bergonzi, Maria Camilla, Smiesko, Martin, Hamburger, Ma

Journal:

European Journal of Pharmaceutics and Biopharmaceutics

Année:

2017

Langue:

english

Fichier:

PDF, 1.68 MB

english, 2017

48

Cover Picture: Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity (ChemBioChem 6/2017)

Navarra, Giulio, Zihlmann, Pascal, Jakob, Roman P., Stangier, Katja, Preston, Roland C., Rabbani, Said, Smiesko, Martin, Wagner, Bea, Maier, Timm, Ernst, Beat

Journal:

Année:

2017

Fichier:

PDF, 355 KB

2017

49

Corrigendum to “Andrographolide-loaded nanoparticles for brain delivery: Formulation, characterisation and in vitro permeability using hCMEC/D3 cell line” [Eur. J. Pharm. Biopharm. 119 (2017) 253–263]

Guccione, Clizia, Oufir, Mouhssin, Piazzini, Vieri, Eigenmann, Daniela Elisabeth, Jähne, Evelyn Andrea, Zabela, Volha, Faleschini, Maria Teresa, Bergonzi, Maria Camilla, Smiesko, Martin, Hamburger, Ma

Journal:

European Journal of Pharmaceutics and Biopharmaceutics

Année:

2017

Langue:

english

Fichier:

PDF, 89 KB

english, 2017

50

Out-compute drug side effects: Focus on cytochrome P450 2D6 modeling

Don, Charleen G., Smieško, Martin

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Année:

2018

Langue:

english

Fichier:

PDF, 2.86 MB

english, 2018