Markus Lill : rechercher sur Z-Library

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1

Computer-aided drug design platform using PyMOL

Markus A. Lill, Matthew L. Danielson

Journal:

Journal of Computer-Aided Molecular Design

Année:

2011

Langue:

english

Fichier:

PDF, 501 KB

english, 2011

2

Straining of the intact and fractured proximal humerus under physiological-like loading

Zully M. Maldonado, Jörn Seebeck, Markus O.W. Heller, Doris Brandt, Pierre Hepp, Helmut Lill, Georg N. Duda

Journal:

Journal of Biomechanics

Année:

2003

Langue:

english

Fichier:

PDF, 562 KB

english, 2003

3

Substrate tunnels in enzymes: Structure-function relationships and computational methodology

Kingsley, Laura J., Lill, Markus A.

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2015

Langue:

english

Fichier:

PDF, 1.08 MB

english, 2015

4

Extensive Rigid Analogue Design Maps the Binding Conformation of Potent N -Benzylphenethylamine 5-HT 2A Serotonin Receptor Agonist Ligands

Juncosa, Jose I., Hansen, Martin, Bonner, Lisa A., Cueva, Juan Pablo, Maglathlin, Rebecca, McCorvy, John D., Marona-Lewicka, Danuta, Lill, Markus A., Nichols, David E.

Journal:

ACS Chemical Neuroscience

Année:

2013

Langue:

english

Fichier:

PDF, 3.65 MB

english, 2013

5

Dynamic Water Networks in Cytochrome c Oxidase from Paracoccus denitrificans Investigated by Molecular Dynamics Simulations

Olkhova, Elena, Hutter, Michael C., Lill, Markus A., Helms, Volkhard, Michel, Hartmut

Journal:

Biophysical Journal

Année:

2004

Langue:

english

Fichier:

PDF, 1.53 MB

english, 2004

6

Molecular dynamics simulation of proton transport with quantum mechanically derived proton hopping rates (Q-HOP MD)

Lill, Markus A., Helms, Volkhard

Journal:

The Journal of Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 609 KB

english, 2001

7

Computational Pharmaceutical Chemistry – Novel Technologies for Lead Optimization and the Prediction of ADMET Properties

Lill, Markus A.

Journal:

CHIMIA International Journal for Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 782 KB

english, 2006

8

Milk allergy is frequent in patients with chronic sinusitis and nasal polyposis

Lill, Claudia, Loader, Benjamin, Seemann, Rudolf, Zumtobel, Michaela, Brunner, Markus, Heiduschka, Gregor, Thurnher, Dietmar

Journal:

American Journal of Rhinology and Allergy

Année:

2011

Langue:

english

Fichier:

PDF, 59 KB

english, 2011

9

Risk of Engagement of Bipolar Bone Defects in Posterior Shoulder Instability

Moroder, Philipp, Plachel, Fabian, Tauber, Mark, Habermeyer, Peter, Imhoff, Andreas, Liem, Dennis, Lill, Helmut, Resch, Herbert, Gerhardt, Christian, Scheibel, Markus

Journal:

American Journal of Sports Medicine

Année:

2017

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2017

10

Efficient and Accurate Hydration Site Profiling for Enclosed Binding Sites

Masters, Matthew R, Mahmoud, Amr H., Yang, Ying, Lill, Markus A

Journal:

Journal of Chemical Information and Modeling

Année:

2018

Langue:

english

Fichier:

PDF, 3.36 MB

english, 2018

11

Prediction of Small-Molecule Binding to Cytochrome P450 3A4: Flexible Docking Combined with Multidimensional QSAR

Markus A. Lill, Max Dobler, Angelo Vedani

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 1017 KB

english, 2006

12

Simulating α/β Selectivity at the Human Thyroid Hormone Receptor: Consensus Scoring Using Multidimensional QSAR

Angelo Vedani, Martin Zumstein, Markus A. Lill, Beat Ernst

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 673 KB

english, 2007

13

Cover Picture: Simulating α/β Selectivity at the Human Thyroid Hormone Receptor: Consensus Scoring Using Multidimensional QSAR (ChemMedChem 1/2007)

Angelo Vedani, Martin Zumstein, Markus A. Lill, Beat Ernst

Journal:

Année:

2007

Fichier:

PDF, 35 KB

2007

14

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

15

Mapping the Catechol Binding Site in Dopamine D1 Receptors: Synthesis and Evaluation of Two Parallel Series of Bicyclic Dopamine Analogues

Dr. Lisa A. Bonner, Dr. Uros Laban, Benjamin R. Chemel, Jose I. Juncosa, Prof. Markus A. Lill, Val J. Watts, Dr. David E. Nichols

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 596 KB

english, 2011

16

Kinetics of the Initial Steps of G Protein-Coupled Receptor-Mediated Cellular Signaling Revealed by Single-Molecule Imaging

Yoriko Lill, Karen L. Martinez, Markus A. Lill, Bruno H. Meyer, Horst Vogel, Bert Hecht

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 233 KB

english, 2005

17

Significant correlation of peptidyl-prolyl isomerase overexpression in merkel cell carcinoma with overall survival of patients

Claudia Lill, Sven Schneider, Johannes Pammer, Robert Loewe, Wilhelm Gedlicka, Roland Houben, Gregor Heiduschka, Markus Brunner, Dietmar Thurnher

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 448 KB

english, 2011

18

Effect of transglutaminase-induced cross-linking of sodium caseinate on the properties of equilibrated interfaces and foams

Riitta Partanen, Arja Paananen, Pirkko Forssell, Markus B. Linder, Martina Lille, Johanna Buchert, Raija Lantto

Journal:

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Année:

2009

Langue:

english

Fichier:

PDF, 821 KB

english, 2009

19

New computational method for prediction of interacting protein loop regions

Matthew L. Danielson, Markus A. Lill

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2010

Langue:

english

Fichier:

PDF, 771 KB

english, 2010

20

Predicting flexible loop regions that interact with ligands: The challenge of accurate scoring

Matthew L. Danielson, Markus A. Lill

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2012

Langue:

english

Fichier:

PDF, 583 KB

english, 2012

21

The “Innsbruck Emergency Algorithm” avoids the underdiagnosis of blunt cervical vascular injuries

Marius C. Wick, Rüdiger J. Weiss, Markus Lill, Werner Jaschke, Michael Rieger

Journal:

Archives of Orthopaedic and Trauma Surgery

Année:

2010

Langue:

english

Fichier:

PDF, 422 KB

english, 2010

22

P53 mutation is a rare event in Merkel cell carcinoma of the head and neck

Claudia Lill, Sven Schneider, Chike B. Item, Robert Loewe, Roland Houben, Daniel Halbauer, Gregor Heiduschka, Markus Brunner, Dietmar Thurnher

Journal:

European Archives of Oto-Rhino-Laryngology

Année:

2011

Langue:

english

Fichier:

PDF, 1.88 MB

english, 2011

23

The Challenge of Predicting Drug Toxicity in silico

Angelo Vedani, Max Dobler, Markus A. Lill

Journal:

Basic & Clinical Pharmacology & Toxicology

Année:

2006

Langue:

english

Fichier:

PDF, 703 KB

english, 2006

24

Integrating structure-based and ligand-based approaches for computational drug design

Wilson, Gregory L, Lill, Markus A

Journal:

Future Medicinal Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 2.71 MB

english, 2011

25

Efficient Incorporation of Protein Flexibility and Dynamics into Molecular Docking Simulations

Lill, Markus A.

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2011

26

Towards a Realistic Representation in Surface-Based Pseudoreceptor Modeling: a PDB-Wide Analysis of Binding Pockets

Gregory L. Wilson, Markus A. Lill

Journal:

Molecular Informatics

Année:

2012

Langue:

english

Fichier:

PDF, 1.27 MB

english, 2012

27

Multi-dimensional QSAR in drug discovery

Journal:

Drug Discovery Today

Année:

2007

Langue:

english

Fichier:

PDF, 2.03 MB

english, 2007

28

Potentially increasing the metabolic stability of drug candidates via computational site of metabolism prediction by CYP2C9: The utility of incorporating protein flexibility via an ensemble of structures

Matthew L. Danielson, Prashant V. Desai, Michael A. Mohutsky, Steven A. Wrighton, Markus A. Lill

Journal:

European Journal of Medicinal Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 728 KB

english, 2011

29

Analogues of doxanthrine reveal differences between the dopamine D1 receptor binding properties of chromanoisoquinolines and hexahydrobenzo[a]phenanthridines

Juan Pablo Cueva, Benjamin R. Chemel, Jose I. Juncosa Jr., Markus A. Lill, Val J. Watts, David E. Nichols

Journal:

European Journal of Medicinal Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 531 KB

english, 2012

30

Combined posteroanterior fusion versus transforaminal lumbar interbody fusion (TLIF) in thoracolumbar burst fractures

Rene Schmid, Richard Andreas Lindtner, Markus Lill, Michael Blauth, Dietmar Krappinger, Christian Kammerlander

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 281 KB

english, 2012

31

In silico prediction of harmful effects triggered by drugs and chemicals

Angelo Vedani, Max Dobler, Markus A. Lill

Journal:

Toxicology and Applied Pharmacology

Année:

2005

Langue:

english

Fichier:

PDF, 276 KB

english, 2005

32

The Preprotein Translocation Channel of the Outer Membrane of Mitochondria

Klaus-Peter Künkele, Susanne Heins, Markus Dembowski, Frank E Nargang, Roland Benz, Michel Thieffry, Jochen Walz, Roland Lill, Stephan Nussberger, Walter Neupert

Journal:

Année:

1998

Langue:

english

Fichier:

PDF, 515 KB

english, 1998

33

Utilizing Experimental Data for Reducing Ensemble Size in Flexible-Protein Docking

Xu, Mengang, Lill, Markus A.

Journal:

Journal of Chemical Information and Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 4.47 MB

english, 2012

34

Combining Protein Modeling and 6D-QSAR. Simulating the Binding of Structurally Diverse Ligands to the Estrogen Receptor †

Vedani, Angelo, Dobler, Max, Lill, Markus A.

Journal:

Journal of Medicinal Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 273 KB

english, 2005

35

Protein Pharmacophore Selection Using Hydration-Site Analysis

Hu, Bingjie, Lill, Markus A.

Journal:

Journal of Chemical Information and Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 750 KB

english, 2012

36

Single Hepatitis-B Virus Core Capsid Binding to Individual Nuclear Pore Complexes in HeLa Cells

Lill, Yoriko, Lill, Markus A., Fahrenkrog, Birthe, Schwarz-Herion, Kyrill, Paulillo, Sara, Aebi, Ueli, Hecht, Bert

Journal:

Biophysical Journal

Année:

2006

Langue:

english

Fichier:

PDF, 294 KB

english, 2006

37

Impact of Induced Fit on Ligand Binding to the Androgen Receptor: A Multidimensional QSAR Study To Predict Endocrine-Disrupting Effects of Environmental Chemicals

Lill, Markus A., Winiger, Fabienne, Vedani, Angelo, Ernst, Beat

Journal:

Journal of Medicinal Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 592 KB

english, 2005

38

Stabilization of an Unusual Salt Bridge in Ubiquitin by the Extra C-Terminal Domain of the Proteasome-Associated Deubiquitinase UCH37 as a Mechanism of Its Exo Specificity

Morrow, Marie E., Kim, Myung-Il, Ronau, Judith A., Sheedlo, Michael J., White, Rhiannon R., Chaney, Joseph, Paul, Lake N., Lill, Markus A., Artavanis-Tsakonas, Katerina, Das, Chittaranjan

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 2.47 MB

english, 2013

39

Exploring the Potential of Protein-Based Pharmacophore Models in Ligand Pose Prediction and Ranking

Hu, Bingjie, Lill, Markus A.

Journal:

Journal of Chemical Information and Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 1.76 MB

english, 2013

40

Expression of β-catenin and cyclin D1 in Merkel cell carcinomas of the head and neck

Asst Prof Claudia Lill MD, PD, Sven Schneider MD, Bahil Ghanim MD, Markus Brunner MD, PD, Prof Gregor Heiduschka MD, Prof Robert Loewe MD, Prof Dietmar Thurnher MD

Journal:

Wiener klinische Wochenschrift

Année:

2013

Fichier:

PDF, 890 KB

2013

41

Induced fit docking, and the use of QM/MM methods in docking

Xu, Mengang, Lill, Markus A.

Journal:

Drug Discovery Today: Technologies

Année:

2013

Langue:

english

Fichier:

PDF, 1.43 MB

english, 2013

42

Erratum to: The pattern of acute injuries in patients from alpine skiing accidents has changed during 2000–2011: analysis of clinical and radiological data at a level I trauma center

Wick, Marius C., Dallapozza, Christian, Lill, Markus, Grundtman, Cecilia, Chemelli-Steingruber, Iris E., Rieger, Michael

Journal:

Archives of Orthopaedic and Trauma Surgery

Année:

2013

Langue:

english

Fichier:

PDF, 108 KB

english, 2013

43

Single-molecule study of molecular mobility in the cytoplasm of Escherichia coli

Lill, Yoriko, Kaserer, Wallace A., Newton, Salete M., Lill, Markus, Klebba, Phillip E., Ritchie, Ken

Journal:

Physical Review E

Année:

2012

Langue:

english

Fichier:

PDF, 633 KB

english, 2012

44

PharmDock: a pharmacophore-based docking program

Hu, Bingjie, Lill, Markus A

Journal:

Journal of Cheminformatics

Année:

2014

Langue:

english

Fichier:

PDF, 1.06 MB

english, 2014

45

IterTunnel; a method for predicting and evaluating ligand EgressTunnels in proteins with buried active sites

Kingsley, Laura J, Lill, Markus A

Journal:

Journal of Cheminformatics

Année:

2014

Langue:

english

Fichier:

PDF, 70 KB

english, 2014

46

WATsite: Hydration site prediction program with PyMOL interface

Hu, Bingjie, Lill, Markus A.

Journal:

Journal of Computational Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 577 KB

english, 2014

47

Including ligand-induced protein flexibility into protein tunnel prediction

Kingsley, Laura J., Lill, Markus A.

Journal:

Journal of Computational Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 723 KB

english, 2014

48

The mitochondrial carrier Rim2 co-imports pyrimidine nucleotides and iron

Froschauer, Elisabeth M., Rietzschel, Nicole, Hassler, Melanie R., Binder, Markus, Schweyen, Rudolf J., Lill, Roland, Mühlenhoff, Ulrich, Wiesenberger, Gerlinde

Journal:

Biochemical Journal

Année:

2013

Langue:

english

Fichier:

PDF, 1.08 MB

english, 2013

49

Combining Structure- and Ligand-Based Approaches to Improve Site of Metabolism Prediction in CYP2C9 Substrates

Kingsley, Laura J., Wilson, Gregory L., Essex, Morgan E., Lill, Markus A.

Journal:

Pharmaceutical Research

Année:

2015

Langue:

english

Fichier:

PDF, 2.10 MB

english, 2015

50

Probing the Steric Space at the Floor of the D 1 Dopamine Receptor Orthosteric Binding Domain: 7α-, 7β-, 8α-, and 8β-Methyl Substituted Dihydrexidine Analogues

Cueva, Juan Pablo, Gallardo-Godoy, Alejandra, Juncosa, Jose I., Vidi, Pierre A., Lill, Markus A., Watts, Val J., Nichols, David E.

Journal:

Journal of Medicinal Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 2.33 MB

english, 2011