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1

Spontane Bildung eines Schiff-Basen-Tetramakrocyclus

Stefan Schmidt, Walter Bauer, Frank W. Heinemann, Harald Lanig, Andreas Grohmann

Journal:

Angewandte Chemie

Year:

2000

Language:

german

File:

PDF, 114 KB

german, 2000

2

Spontaneous Assembly of a Schiff Base Tetramacrocycle

Stefan Schmidt, Walter Bauer, Frank W. Heinemann, Harald Lanig, Andreas Grohmann

Journal:

Angewandte Chemie International Edition

Year:

2000

Language:

english

File:

PDF, 115 KB

english, 2000

3

Rational Molecular Design and EPC Synthesis of a Type VI β-Turn Inducing Peptide Mimetic

Tobias Hoffmann, Harald Lanig, Reiner Waibel, Peter Gmeiner

Journal:

Angewandte Chemie

Year:

2001

Language:

english

File:

PDF, 127 KB

english, 2001

4

Rational Molecular Design and EPC Synthesis of a Type VI β-Turn Inducing Peptide Mimetic

Tobias Hoffmann, Harald Lanig, Reiner Waibel, Peter Gmeiner

Journal:

Angewandte Chemie International Edition

Year:

2001

Language:

english

File:

PDF, 127 KB

english, 2001

5

Diarylpropane-1,3-dione Derivatives as TetR-Inducing Tetracycline Mimetics: Synthesis and Biological Investigations

Christian Kormann, Irina Pimenta, Stefan Löber, Cornelius Wimmer, Harald Lanig, Timothy Clark, Wolfgang Hillen, Peter Gmeiner

Journal:

Year:

2009

Language:

english

File:

PDF, 426 KB

english, 2009

6

Electrostatic Complexation and Photoinduced Electron Transfer between Zn-Cytochrome c and Polyanionic Fullerene Dendrimers

Martin Braun, Stefan Atalick, Dirk M. Guldi, Harald Lanig, Michael Brettreich, Stephan Burghardt, Maria Hatzimarinaki, Elena Ravanelli, Maurizio Prato, Rudi van Eldik, Andreas Hirsch

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 330 KB

english, 2003

7

Electrostatic Complexation and Photoinduced Electron Transfer between Zn-Cytochrome c and Polyanionic Fullerene Dendrimers

Martin Braun, Stefan Atalick, Dirk M. Guldi, Harald Lanig, Michael Brettreich, Stephan Burghardt, Maria Hatzimarinaki, Elena Ravanelli, Maurizio Prato, Rudi van Eldik, Andreas Hirsch

Journal:

Chemistry - A European Journal

Year:

2003

File:

PDF, 19 KB

2003

8

Structural Variations of Piritrexim, a Lipophilic Inhibitor of Human Dihydrofolate Reductase: Synthesis, Antitumor Activity and Molecular Modeling Investigations.

Mario Zink, Harald Lanig, Reinhard Troschuetz

Journal:

Year:

2005

File:

PDF, 26 KB

2005

9

Collagen type II is recognized by a pathogenic antibody through germline encoded structures

Ulrika Böiers, Harald Lanig, Bettina Sehnert, Rikard Holmdahl, Harald Burkhardt

Journal:

European Journal of Immunology

Year:

2008

Language:

english

File:

PDF, 468 KB

english, 2008

10

2,4-Diamino-9H-pyrimido[4,5-b]indol-5-ols: Synthesis, in vitro cytotoxic activity, and QSAR investigations

Bernd Dotzauer, Renate Grünert, Patrick J. Bednarski, Harald Lanig, Jens Landwehr, Reinhard Troschütz

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 225 KB

english, 2006

11

Molecular Dynamics Simulation Links Conformation of a Pore-Flanking Region to Hyperekplexia-Related Dysfunction of the Inhibitory Glycine Receptor

Hans-Georg Breitinger, Harald Lanig, Christine Vohwinkel, Christof Grewer, Ulrike Breitinger, Tim Clark, Cord-Michael Becker

Journal:

Chemistry & Biology

Year:

2004

Language:

english

File:

PDF, 404 KB

english, 2004

12

Structural variations of piritrexim, a lipophilic inhibitor of human dihydrofolate reductase: synthesis, antitumor activity and molecular modeling investigations

Mario Zink, Harald Lanig, Reinhard Troschütz

Journal:

European Journal of Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 302 KB

english, 2004

13

Fit in Organik. Von Rudi Hutterer

Journal:

Pharmazie in unserer Zeit

Year:

2007

Language:

german

File:

PDF, 59 KB

german, 2007

14

Induction of the tetracycline repressor: Characterization by molecular-dynamics simulations

Florian Haberl, Harald Lanig, Timothy Clark

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2009

Language:

english

File:

PDF, 329 KB

english, 2009

15

Molecular Dynamics of a Schiff Base Tetramacrocycle Studied by NMR and MD Simulations

Andreas Grohmann, Harald Lanig, Walter Bauer, Stefan Schmidt, Frank W. Heinemann

Journal:

Journal of Molecular Modeling

Year:

2000

Language:

english

File:

PDF, 186 KB

english, 2000

16

AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine

Nadine Homeyer, Anselm H. C. Horn, Harald Lanig, Heinrich Sticht

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 396 KB

english, 2006

17

The structure of 5a,6–anhydrotetracycline and its Mg2+complexes in aqueous solution

Olaf G. Othersen, Harald Lanig, Timothy Clark

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 713 KB

english, 2006

18

Conformational Analysis of Tetracycline using Molecular Mechanical and Semiempirical MO-Calculations

Harald Lanig, Maik Gottschalk, Siegfried Schneider, Timothy Clark

Journal:

Journal of Molecular Modeling

Year:

1999

Language:

english

File:

PDF, 558 KB

english, 1999

19

A Semiempirical QM/MM Implementation and its Application to the Absorption of Organic Molecules in Zeolites

Timothy Clark, Alexander Alex, Bernd Beck, Peter Gedeck, Harald Lanig

Journal:

Journal of Molecular Modeling

Year:

1999

Language:

english

File:

PDF, 381 KB

english, 1999

20

Encyclopedia of Computational Chemistry

Anselm Horn, Harald Lanig

Journal:

Journal of Molecular Modeling

Year:

1999

Language:

english

File:

PDF, 38 KB

english, 1999

21

Quantum mechanical/molecular mechanical (QM/MM) docking: an evaluation for known test systems

BEIERLEIN, FRANK, LANIG, HARALD, SCHÜRER, GUDRUN, HORN, ANSELM H. C., CLARK, TIMOTHY

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 1.78 MB

english, 2003

22

Structural Insight into the Prolyl Hydroxylase PHD2: A Molecular Dynamics and DFT Study

Christian R. Wick, Harald Lanig, Christof M. Jäger, Nicolai Burzlaff, Timothy Clark

Journal:

European Journal of Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 1.84 MB

english, 2012

23

Molecular Dynamics Simulations of the Tetracycline-repressor Protein: The Mechanism of Induction

Harald Lanig, Olaf G. Othersen, Frank R. Beierlein, Ute Seidel, Timothy Clark

Journal:

Journal of Molecular Biology

Year:

2006

Language:

english

File:

PDF, 963 KB

english, 2006

24

Distinct Acidic Clusters and Hydrophobic Residues in the Alternative Splice Domains X1 and X2 of α7 Integrins Define Specificity for Laminin Isoforms

Helga von der Mark, Ernst Pöschl, Harald Lanig, Takako Sasaki, Rainer Deutzman, Klaus von der Mark

Journal:

Journal of Molecular Biology

Year:

2007

Language:

english

File:

PDF, 1.38 MB

english, 2007

25

Molecular Dynamics Simulations of the Effect of the G-Protein and Diffusible Ligands on the β2-Adrenergic Receptor

Angela Goetz, Harald Lanig, Peter Gmeiner, Timothy Clark

Journal:

Journal of Molecular Biology

Year:

2011

Language:

english

File:

PDF, 1.12 MB

english, 2011

26

Three-dimensional modeling of a pre-B-cell receptor

Harald Lanig, Harald Bradl, Hans-Martin Jäck

Journal:

Molecular Immunology

Year:

2004

Language:

english

File:

PDF, 331 KB

english, 2004

27

Structural Insight into the Prolyl Hydroxylase PHD2: A Molecular Dynamics and DFT Study (Eur. J. Inorg. Chem. 31/2012)

Wick, Christian R., Lanig, Harald, Jäger, Christof M., Burzlaff, Nicolai, Clark, Timothy

Journal:

European Journal of Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 6.61 MB

english, 2012

28

Rezensionen

Schindler, Siegfried, Steiner, Gerald, Lanig, Harald, Leberer, Ekkehard, Pyell, Ute

Journal:

Nachrichten aus der Chemie

Year:

2009

Language:

german

File:

PDF, 1.99 MB

german, 2009

29

Molecular Dynamics Characterization of the Structures and Induction Mechanisms of a Reverse Phenotype of the Tetracycline Receptor

Seidel, Ute, Othersen, Olaf G., Haberl, Florian, Lanig, Harald, Beierlein, Frank R., Clark, Timothy

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 714 KB

english, 2007

30

SCRF-DFT and NMR Comparison of Tetracycline and 5a,6-Anhydrotetracycline in Solution

Othersen, Olaf G., Waibel, Reiner, Lanig, Harald, Gmeiner, Peter, Clark, Timothy

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 244 KB

english, 2006

31

Conformations and Tautomers of Tetracycline

Othersen, Olaf G., Beierlein, Frank, Lanig, Harald, Clark, Timothy

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 138 KB

english, 2003

32

Dopamine D 2 , D 3 , and D 4 Selective Phenylpiperazines as Molecular Probes To Explore the Origins of Subtype Specific Receptor Binding

Ehrlich, Katharina, Götz, Angela, Bollinger, Stefan, Tschammer, Nuska, Bettinetti, Laura, Härterich, Steffen, Hübner, Harald, Lanig, Harald, Gmeiner, Peter

Journal:

Journal of Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 3.72 MB

english, 2009

33

Rezensionen

Lanig, Harald, Bulmahn, Maren, Giannis, Athanassios

Journal:

Nachrichten aus der Chemie

Year:

2010

Language:

german

File:

PDF, 177 KB

german, 2010

34

Monitoring Biological Membrane-Potential Changes: A CI QM/MM Study

Rusu, Catalin F., Lanig, Harald, Othersen, Olaf G., Kryschi, Carola, Clark, Timothy

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 591 KB

english, 2008

35

Modeling the Similarity and Divergence of Dopamine D 2 -like Receptors and Identification of Validated Ligand−Receptor Complexes

Boeckler, Frank, Lanig, Harald, Gmeiner, Peter

Journal:

Journal of Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 1.01 MB

english, 2005

36

Systematic Surface Scan of the Most Favorable Interaction Sites of Magnesium Ions with Tetracycline

Othersen, Olaf G., Lanig, Harald, Clark, Timothy

Journal:

Journal of Medicinal Chemistry

Year:

2003

Language:

english

File:

PDF, 231 KB

english, 2003

37

Aeromonas proteolytica Aminopeptidase: An Investigation of the Mode of Action Using a Quantum Mechanical/Molecular Mechanical Approach †

Schürer, Gudrun, Lanig, Harald, Clark, Timothy

Journal:

Year:

2004

Language:

english

File:

PDF, 294 KB

english, 2004

38

Comparative Molecular Field Analysis of Dopamine D4 Receptor Antagonists Including 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5- a ]pyridine (FAUC 113), 3-[4-(4-Chlorophenyl)piperazin-1-ylmethyl]-1 H -pyrrolo[2,3- b ]pyridine (L-745,870), and Clozapine

Lanig, Harald, Utz, Wolfgang, Gmeiner, Peter

Journal:

Journal of Medicinal Chemistry

Year:

2001

Language:

english

File:

PDF, 177 KB

english, 2001

39

Simulating FRET from Tryptophan: Is the Rotamer Model Correct?

Beierlein, Frank R., Othersen, Olaf G., Lanig, Harald, Schneider, Siegfried, Clark, Timothy

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 518 KB

english, 2006

40

Structural Changes and Binding Characteristics of the Tetracycline-Repressor Binding Site on Induction

Lanig, Harald, Othersen, Olaf G., Seidel, Ute, Beierlein, Frank R., Exner, Thomas E., Clark, Timothy

Journal:

Journal of Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 164 KB

english, 2006

41

Molecular Building Kit of Fused-Proline-Derived Peptide Mimetics Allowing Specific Adjustment of the Dihedral Ψ Angle

Einsiedel, Juergen, Lanig, Harald, Waibel, Reiner, Gmeiner, Peter

Journal:

Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 262 KB

english, 2007

42

The Mode of Action of Phospholipase A 2 : Semiempirical MO Calculations Including the Protein Environment

Schürer, Gudrun, Lanig, Harald, Clark, Timothy

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 544 KB

english, 2000

43

How does Mg2+ affect the binding of anhydrotetracycline in the TetR protein?

Leypold, Clemens F., Marian, Dan-Thomas, Roman, Ciprian, Schneider, Siegfried, Schubert, Peter, Scholz, Oliver, Hillen, Wolfgang, Clark, Timothy, Lanig, Harald

Journal:

Photochemical & Photobiological Sciences

Year:

2004

Language:

english

File:

PDF, 379 KB

english, 2004

44

A topical collection on the occasion of Tim Clark’s 65th birthday

Lanig, Harald, Jäger, Christof M., Shubina, Tatyana

Journal:

Journal of Molecular Modeling

Year:

2015

Language:

english

File:

PDF, 679 KB

english, 2015

45

Functional consequence of fibulin-4 missense mutations associated with vascular and skeletal abnormalities and cutis laxa

Sasaki, Takako, Hanisch, Franz-Georg, Deutzmann, Rainer, Sakai, Lynn Y., Sakuma, Tetsushi, Miyamoto, Tatsuo, Yamamoto, Takashi, Hannappel, Ewald, Chu, Mon-Li, Lanig, Harald, von der Mark, Klaus

Journal:

Year:

2016

Language:

english

File:

PDF, 2.70 MB

english, 2016

46

Effective Elimination of Acute Myeloid Leukemic Cells by Recombinant Bispecific Antibody Derivatives Directed Against CD33 and CD16

Singer, Heiko, Kellner, Christian, Lanig, Harald, Aigner, Michael, Stockmeyer, Bernhard, Oduncu, Fuat, Schwemmlein, Michael, Stein, Christoph, Mentz, Kristin, Mackensen, Andreas, Fey, Georg H.

Journal:

Journal of Immunotherapy

Year:

2010

Language:

english

File:

PDF, 372 KB

english, 2010

47

Active-State Model of a Dopamine D2 Receptor - Gαi Complex Stabilized by Aripiprazole-Type Partial Agonists

Kling, Ralf C., Tschammer, Nuska, Lanig, Harald, Clark, Timothy, Gmeiner, Peter, Seifert, Roland

Journal:

Year:

2014

Language:

english

File:

PDF, 1.32 MB

english, 2014

48

Molecular dynamics simulations on human fibulin-4 mutants D203A and E126K reveal conformational changes in EGF domains potentially responsible for enhanced protease lability and impaired extracellular matrix assembly

Sasaki, Takako, von der Mark, Klaus, Lanig, Harald

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Year:

2019

Language:

english

File:

PDF, 5.10 MB

english, 2019

49

Molecular dynamics simulations on human fibulin-4 mutants D203A and E126K reveal conformational changes in EGF domains potentially responsible for enhanced protease lability and impaired extracellular matrix assembly

Sasaki, Takako, von der Mark, Klaus, Lanig, Harald

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Year:

2019

File:

PDF, 5.10 MB

2019

50

If you do not try, you will never know!

JÃ¤ger, Christof M., Lanig, Harald

Journal:

Journal of Molecular Modeling

Year:

2020

File:

PDF, 228 KB

2020