Head: Jun.-Prof. Dr. Birgit Strodel
Forschungzentrum Jülich
ICS-6: Structural Biochemistry
Molecular modeling of human alkaline sphingomyelinase
P. S. Suresh, O. Olubiyi, C. Thirunavukkarasu, B. Strodel, M. S. Kumar
Bioinformation, 6(2), 78-82 (2011). [pdf]
Modelling Proteins: Conformational Sampling and Reconstruction of Folding Kinetics
K. Klenin, B. Strodel, D.J. Wales and W. Wenzel.
BBA-Proteins and Proteomics (2011) [pdf]
Transmembrane structures for Alzheimer's Aβ1-42 oligomers.
B. Strodel, J.W.L. Lee, C.S. Whittleston and D.J. Wales.
J. Am. Chem. Soc., 132, 13300-13312 (2010). [pdf]
Interpolation Schemes for Peptide Rearrangements.
M.S. Bauer, B. Strodel, S.N. Fejer, E.F. Koslover and D.J. Wales.
J. Chem. Phys., 132, 054101 (2010). [pdf]
Symmetrisation of the AMBER and CHARMM Force Fields.
E. Malolepsza, B. Strodel, M. Khalili, S. Trygubenko, S. Fejer and D.J. Wales.
J. Comp. Chem., 31, 1402-1409 (2010). [pdf]
Pathways and Rates for Structural Transformations of Peptides and Proteins.
In Energy Flow in Proteins.
D.J. Wales, J.M. Carr, M. Khalili, V. de Souza, B. Strodel, and C.S. Whittleston.
edited by D.Leitner and J.Straub, Taylor and Francis/CRC Press, 315-340 (2009). [pdf]
Frontiers Article: Free Energy Surfaces from an Extended Harmonic Superposition Approach and Kinetics for Alanine Dipeptide.
B. Strodel and D.J. Wales.
Chem. Phys. Lett., 466, 105-115 (2008). [pdf]
Characterising the first steps of amyloid formation for the ccβ peptide.
B. Strodel, A.W. Fitzpatrick, M. Vendruscolo, C.M. Dobson, and D.J. Wales.
J. Phys. Chem. B 112:9998-10004 (2008). [pdf]
Implicit solvent models and the energy landscape for aggregation of the amyloidogenic KFFE peptide.
B. Strodel and D.J. Wales.
J. Chem. Theo. Comp. 4:657-672 (2008). [pdf]
Thermodynamics and Kinetics of Aggregation for the GNNQQNY Peptide.
B. Strodel, C.S. Whittleston, and D.J. Wales.
J. Am. Chem. Soc. 129:16005-16014 (2007). [pdf]