Strodel B - Search Results

1

Integrative modeling of guanylate binding protein dimers.

Schumann W, Loschwitz J, Reiners J, Degrandi D, Legewie L, Stühler K, Pfeffer K, Poschmann G, Smits SHJ, Strodel B. Schumann W, et al. Among authors: strodel b. Protein Sci. 2023 Dec;32(12):e4818. doi: 10.1002/pro.4818. Protein Sci. 2023. PMID: 37916607 Free PMC article.

2

Implicit Solvent Models and the Energy Landscape for Aggregation of the Amyloidogenic KFFE Peptide.

Strodel B, Wales DJ. Strodel B, et al. J Chem Theory Comput. 2008 Apr;4(4):657-72. doi: 10.1021/ct700305w. J Chem Theory Comput. 2008. PMID: 26620941

3

Symmetrization of the AMBER and CHARMM force fields.

Małolepsza E, Strodel B, Khalili M, Trygubenko S, Fejer SN, Wales DJ. Małolepsza E, et al. Among authors: strodel b. J Comput Chem. 2010 May;31(7):1402-9. doi: 10.1002/jcc.21425. J Comput Chem. 2010. PMID: 20082393

4

Interpolation schemes for peptide rearrangements.

Bauer MS, Strodel B, Fejer SN, Koslover EF, Wales DJ. Bauer MS, et al. Among authors: strodel b. J Chem Phys. 2010 Feb 7;132(5):054101. doi: 10.1063/1.3273617. J Chem Phys. 2010. PMID: 20136299

5

Thermodynamics and kinetics of aggregation for the GNNQQNY peptide.

Strodel B, Whittleston CS, Wales DJ. Strodel B, et al. J Am Chem Soc. 2007 Dec 26;129(51):16005-14. doi: 10.1021/ja075346p. Epub 2007 Dec 4. J Am Chem Soc. 2007. PMID: 18052168

6

Classical Calculation of Transient Absorption Spectra Monitoring Ultrafast Electron Transfer Processes.

Uspenskiy I, Strodel B, Stock G. Uspenskiy I, et al. Among authors: strodel b. J Chem Theory Comput. 2006 Nov;2(6):1605-17. doi: 10.1021/ct6002127. J Chem Theory Comput. 2006. PMID: 26627031

7

Characterizing the first steps of amyloid formation for the ccbeta peptide.

Strodel B, Fitzpatrick AW, Vendruscolo M, Dobson CM, Wales DJ. Strodel B, et al. J Phys Chem B. 2008 Aug 14;112(32):9998-10004. doi: 10.1021/jp801222x. Epub 2008 Jul 23. J Phys Chem B. 2008. PMID: 18646795

8

Molecular modeling, dynamics, and an insight into the structural inhibition of cofactor independent phosphoglycerate mutase isoform 1 from Wuchereria bancrofti using cheminformatics and mutational studies.

Sharma OP, Vadlamudi Y, Liao Q, Strodel B, Suresh Kumar M. Sharma OP, et al. Among authors: strodel b. J Biomol Struct Dyn. 2013;31(7):765-78. doi: 10.1080/07391102.2012.709460. Epub 2012 Aug 22. J Biomol Struct Dyn. 2013. PMID: 22908983

9

Development and Application of a Nonbonded Cu(2+) Model That Includes the Jahn-Teller Effect.

Liao Q, Kamerlin SC, Strodel B. Liao Q, et al. Among authors: strodel b. J Phys Chem Lett. 2015 Jul 2;6(13):2657-62. doi: 10.1021/acs.jpclett.5b01122. J Phys Chem Lett. 2015. PMID: 26167255 Free PMC article.

10

Modelling proteins: conformational sampling and reconstruction of folding kinetics.

Klenin K, Strodel B, Wales DJ, Wenzel W. Klenin K, et al. Among authors: strodel b. Biochim Biophys Acta. 2011 Aug;1814(8):977-1000. doi: 10.1016/j.bbapap.2010.09.006. Epub 2010 Sep 17. Biochim Biophys Acta. 2011. PMID: 20851219 Review.

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