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Dr. Carsten Baldauf

Postdoc

Molecular Biomechanics group

PICB, Max-Planck Society and
Chinese Academy of Sciences

320 Yue Yang Road, Shanghai 200031

Tel: 86-21-549 204 58
Fax: 86-21-549 204 51


E-Mail: caba@paradocks.org




> Research

My work as a Ph. D. student was dedicated to the structural properties of peptides, especially peptides built from non-proteinogenic amino acids. The work was supported by the DFG as Project HO 2346/1 'Sekundärstrukturbildung in Peptiden mit nicht-proteinogenen Aminosäuren' and within SFB-610. I performed theoretical conformational analyses on several classes of foldamers (α-, β-, γ- and δ-peptides, vinylogous γ-peptides, sulfonamidopeptides) applying ab initio and force field methods.

Afterwards, in the group of M. Teresa Pisabarro at the Biotec in Dresden, my fields of interest grew into protein-protein and protein-peptide interactions and their imitation and inhibition with mimetic scaffolds based on known foldamers. I am grateful for funding to the Free State of Saxony and to Klaus Tschira Foundation.

Currently, my research deals with the molecular and atomic basis of the function and activity of von Willebrand factor (VWF). The investigations cover the influence of shear flow and several protein-protein interactions related to blood clotting. The work is supported by Alexander-von-Humboldt Foundation.

Recently also the development and application of novel algorithms to the problem of molecular docking came into the focus of my interest. Therefore I am in close contact with colleagues from Halle, Odense, and Leipzig. Together we develop the Parallel Docking Suite (ParaDocks).


> Workshops and Conferences

SHEAR-2009
Sino-German Workshop on
Shear as Regulatory Driving Force in the Extracellular Space
in Beijing, January 19 to 24, 2009
organized by
R. Schneppenheim (Hamburg), F. Gräter (Shanghai), and C. Baldauf (Shanghai)
contact: shear2009@picb.ac.cn

META-2008
Special Session on 'Metaheuristics and Structural Biology'.

MDCO-2007
Satellite Conference on Molecular Docking, Complexity, and Optimization of the ECCS-07 in Dresden.



> Publications


Publications in Reviewed Journals:

Baldauf, C.; Schneppenheim, R.; Stacklies W.; Obser, T.; Pieconka A.; Schneppenheim S.; Budde U.; Gräter F.; Shear-Induced Unfolding Activates von Willebrand Factor A2 Domain for Proteolysis. Journal of Thrombosis and Haemostasis, ACCEPTED

Baldauf, C.; Pisabarro, M. T.; Stable Hairpins with β-Peptides - A Route to Tackle Protein-Protein Interactions J. Phys. Chem. B 2008 (112), 7581-7591.
DOI: 10.1021/jp076838r
pdf

Scheike, J. A.; Baldauf, C.; Spengler, J.; Albericio, F.; Pisabarro, M. T.; Koksch, B.; Amide-to-Ester Substitution in Coiled Coils: The Effect of Removing Hydrogen Bonds on Protein Structure Angew. Chem. 2007 (119), 7912-7916. Angew. Chem. Int. Ed. 2007 (46), 7766-7769.
DOI: 10.1002/anie.200702218
pdf ; supp

Baldauf, C.; Günther, R.; Hofmann, H.-J.; Theoretical Prediction of the Basic Helix Types in Helices α,β-Hybrid Peptides Biopolymers: Peptide Science 2006 (84), 408-413.
DOI: 10.1002/bip.20493
pdf ; supp

Baldauf, C.; Günther, R.; Hofmann, H.-J.; Helices in Peptoids of α- and β-Peptides Phys. Bio. 2006 (3), S1-S9.
DOI: 10.1088/1478-3975/3/1/S01
pdf ; supp ; supp1

Baldauf, C.; Günther, R.; Hofmann, H.-J.; Helix Formation in α,γ- and β,γ-Hybrid Peptides - Theoretical Insights into Mimicry of α- and β-Peptides J. Org. Chem. 2006 (71), 1200-1208.
DOI: 10.1021/jo052340e
pdf ; supp ; supp1 ; supp2 ; supp3 ; supp4

Lang, M.; De Pol, S.; Baldauf, C.; Hofmann, H.-J.; Reiser, O.; Beck-Sickinger, A. G.; Identification of the Key Residue of Calcitonin Gene Related Peptide (CGRP) 27-37 to Obtain Antagonists with Picomolar Affinity at the CGRP Receptor J. Med. Chem. 2006 (49), 616-624.
DOI: 10.1021/jm050613s
pdf

Baldauf, C.; Günther, R.; Hofmann, H.-J.; Side Chain Control of Folding of the Homologous α-, β- and γ-Peptides into "Mixed" Helices (β-Helices) Biopolymers: Peptide Science 2005 (80), 675-687.
DOI: 10.1002/bip.20249
pdf

Baldauf, C.; Günther, R.; Hofmann, H.-J.; Control of Helix Formation in Vinylogous γ-Peptides by (E)- and (Z)- Double Bonds - A Way to Ion Channels and Monomolecular Nanotubes J. Org. Chem. 2005 (70), 5351-5361.
DOI: 10.1021/jo0480489
pdf ; supp

Baldauf, C.; Günther, R.; Hofmann, H.-J.; δ-Peptides and δ-Amino Acids as Tools for Peptide Structure Design - A Theoretical Study J. Org. Chem. 2004 (69), 6214-6220.
DOI: 10.1021/jo049535r
pdf ; supp

Baldauf, C.; Günther, R.; Hofmann, H.-J.; Conformational properties of sulfonamido peptides J. Mol. Struct. (Theochem) 2004 (675), 19-28.
DOI: 10.1016/j.theochem.2003.12.029
pdf

Baldauf, C.; Günther, R.; Hofmann, H.-J.; Mixed Helices - A General Folding Pattern in Homologous Peptides? Angew. Chem. 2004 (116), 1621-1624. Angew. Chem. Int. Ed. 2004 (43), 1594-1597.
DOI: 10.1002/anie.200353249
pdf ; supp


Baldauf, C.; Günther, R.; Hofmann, H.-J.; Helix Formation and Folding in γ-Peptides and Their Vinylogues Helv. Chim. Acta 2003 (86), 2573-2588.
DOI: 10.1002/hlca.200390208
pdf ; supp


Oral Presentations:

Baldauf, C.; Pisabarro, M. T.; Imitating β-Hairpins with More Robust β-Peptide Folds 2nd International Symposium on Biomolecules and Related Compounds, Kyoto, Japan, November 10th-12th, 2006.

Baldauf, C.; Scheike, J. A.; Spengler, J.; Albericio, F.; Koksch, B.; Pisabarro, M. T.; Amide to Ester Substitutions in Coiled Coils - The Effect of H-Bond Elimination on Protein Structure Formation 20th American Peptide Symposium, Montreal, QC, Canada, June 26th-30th, 2007.


Proceedings:

Baldauf, C.; Günther, R.; Hofmann, H.-J.; Vinylogous γ-Amino Acids as Building Blocks for Foldamers, In: Peptides - Peptide Revolution: Genomics, Proteomics & Therapeutics. Proc. of the 18th American Peptide Symposium; Eds. Chorev, M.; Sawyer, T. K.; American Peptide Society: San Diego, 2004; pp 441-442.

Baldauf, C.; Günther, R.; Hofmann, H.-J.; Helix Formation in Oligomers of γ-Amino Acids, In: Peptides - Peptide Revolution: Genomics, Proteomics & Therapeutics. Proc. of the 18th American Peptide Symposium; Eds. Chorev, M.; Sawyer, T. K.; American Peptide Society: San Diego, 2004; pp 439-440.

Baldauf, C.; Günther, R.; Hofmann, H.-J.; Helix Formation in α/β, α/γ- and β/γ-Hybrid Peptides, In: Understanding Biology Using Peptides. Proc. of the 19th American Peptide Symposium; Ed. Blondelle, S.; American Peptide Society: San Diego, 2006; pp 671-672.

Baldauf, C.; Pisabarro, M. T.; Imitating β-Hairpins with More Robust β-Peptide Folds, In: Peptide Science 2006. Proc. of the 43rd Japanese Peptide Symposium and the 4th Peptide Engineering Meeting; Eds. Ishida, H.; Mihara, H.; The Japanese Peptide Society: Osaka, 2006; p 143.


Poster Presentations:
Baldauf, C.; Günther, R.; Hofmann, H.-J.; Konformation und Faltung in Sulfonamidopeptiden 16. CIC Workshop, Kleinmachnow/Berlin, November 10th-12th, 2002. pdf


Baldauf, C.; Günther, R.; Hofmann, H.-J.; Helix Formation in Oligomers of γ-Amino Acids (γ-Peptides) 18th American Peptide Symposium Boston, MA, July 19th-23rd, 2003, Biopolymers 71(3), P501.


Baldauf, C.; Günther, R.; Hofmann, H.-J.; Vinylogous γ-Amino Acids as Building Blocks for Foldamers 18th American Peptide Symposium Boston, MA, July 19th-23rd, 2003, Biopolymers 71(3), P502.


Baldauf, C.; Günther, R.; Hofmann, H.-J.; δ-Amino Acids as Building Blocks for the Structure Design of Peptides and Foldamers NIC Winter School - Computational Soft Matter: From Synthetic Polymers to Proteins, Bonn, February 29th-March 6th, 2004, NIC Series Vol. 22, P4.


Günther, R.; Baldauf, C.; Hofmann, H.-J.; Mixed Helices - A Novel General Folding Pattern in Homologous Peptides NIC Winter School - Computational Soft Matter: From Synthetic Polymers to Proteins, Bonn, February 29th-March 6th, 2004, NIC Series Vol. 22, P16.


Baldauf, C.; Günther, R.; Hofmann, H.-J.; Side Chain Control of Folding into Mixed Peptide Helices Math/Chem/Comp - The 19th International Course & Conference on the Interfaces among Mathematics, Chemistry & Computer Sciences, Dubrovnik, Croatia, June 21st-26th, 2004. pdf


Baldauf, C.; Günther, R.; Hofmann, H.-J.; Helix Formation in (E)- and (Z)-Vinylogous γ-Peptides - A Way to Monomolecular Cannels and Nanotubes 5th International EMBL PhD Students Symposium - Design of Life, Learning from Nature, Heidelberg, December 2nd-4th, 2004.


Baldauf, C.; Günther, R.; Hofmann, H.-J.; Secondary Structure Formation and Folding in α/β-, α/γ-, and β/γ-Oligopeptides (Hybridpeptides) 7th German Peptide Symposium, Braunschweig, February 27th-March 2nd, 2005. pdf


Baldauf, C.; Günther, R.; Hofmann, H.-J.; Secondary Structure Formation and Folding in α/β-, α/γ-, and β/γ-Oligopeptides (Hybridpeptides) 19th American Peptide Symposium, San Diego, CA, June 18th-23rd, 2005.


Baldauf, C.; Pisabarro, M. T.; Tackling Protein-Protein Interactions with Non-Natural Peptide Scaffolds Biotechnologietag der Universität Leipzig, Leipzig, May 18th-19th, 2006.


Baldauf, C.; Pisabarro, M. T.; Tackling Protein-Protein Interactions with Non-Natural Peptide Scaffolds 367th WE-Heraeus Seminar: Biomolecular Simulations - From Physical Principles to Biological Functions, Bad Honnef, May 22nd-24th, 2006.


Baldauf, C.; Pisabarro, M. T.; Imitating β-Hairpins with More Robust β-Peptide Folds 43rd Japanese Peptide Symposium and 4th Peptide Engineering Meeting, Yokohama, Japan, November 5th-8th, 2006.


Baldauf, C.; Scheike, J. A.; Spengler, J.; Albericio, F.; Koksch, B.; Pisabarro, M. T.; Amide to Ester Substitutions in Coiled Coils - The Effect of H-Bond Elimination on Protein Structure Formation Physical and Chemical Foundations of Bioinformatics Methods at MPI-PKS, Dresden, Germany, June 18th-22nd, 2007.


Diplomarbeit (Diploma thesis):
Sulfonamidopeptide und vinyloge Peptide als Foldamere Universität Leipzig 2002.
pdf[1442k]
Doktorarbeit (Ph.D. thesis):
Secondary Structure Formation in Homologous Peptides Universität Leipzig 2005.
pdf[3663k]

> Curriculum Vitae


School
1984-1992 POS "Oleg Koschewoi" / MS Altendorf in Chemnitz
1992-1996 Dr.-Wilhelm-Andre-Gymnasium in Chemnitz
Studies
1997-1998 Biochemistry at the Ruhr-University of Bochum
1998-2002 Biochemistry at the University of Leipzig
2002 Diploma in Biochemistry (University of Leipzig)
Diploma thesis: 'Sulfonamidopeptide und vinyloge Peptide als Foldamere' [PDF 1442k] (deutsch)
Work
2002-05 PhD student in the group of Prof. Hofmann (DFG-Projekt HO 2346/1)
'Sekundärstrukturbildung in Peptiden mit nicht-proteinogenen Aminosäuren'
2005-05 PhD thesis: 'Secondary Structure Formation in Homologous Peptides' [PDF 3663k] (english)
2005-06 PostDoc in the group of Prof. Hofmann
(Uni Leipzig, SFB 610)
2005-12 PostDoc in the group of Dr. Pisabarro
(BIOTEC, TU Dresden, Klaus Tschira Foundation)
2008-01 PostDoc in the group of Dr. Gräter
(PICB, Shanghai, Alexander von Humboldt Foundation)





© 2009 Molecular Biomechanics group