Groenhof G - Search Results

1

Charge-Neutral Constant pH Molecular Dynamics Simulations Using a Parsimonious Proton Buffer.

Donnini S, Ullmann RT, Groenhof G, Grubmüller H. Donnini S, et al. Among authors: groenhof g. J Chem Theory Comput. 2016 Mar 8;12(3):1040-51. doi: 10.1021/acs.jctc.5b01160. Epub 2016 Feb 26. J Chem Theory Comput. 2016. PMID: 26881315

2

The planar conformation of a strained proline ring: a QM/MM study.

Donnini S, Groenhof G, Wierenga RK, Juffer AH. Donnini S, et al. Among authors: groenhof g. Proteins. 2006 Aug 15;64(3):700-10. doi: 10.1002/prot.21006. Proteins. 2006. PMID: 16741995

3

Photoswitching of the fluorescent protein asFP595: mechanism, proton pathways, and absorption spectra.

Schäfer LV, Groenhof G, Klingen AR, Ullmann GM, Boggio-Pasqua M, Robb MA, Grubmüller H. Schäfer LV, et al. Among authors: groenhof g. Angew Chem Int Ed Engl. 2007;46(4):530-6. doi: 10.1002/anie.200602315. Angew Chem Int Ed Engl. 2007. PMID: 17094157 No abstract available.

4

Ultrafast deactivation of an excited cytosine-guanine base pair in DNA.

Groenhof G, Schäfer LV, Boggio-Pasqua M, Goette M, Grubmüller H, Robb MA. Groenhof G, et al. J Am Chem Soc. 2007 May 30;129(21):6812-9. doi: 10.1021/ja069176c. Epub 2007 May 8. J Am Chem Soc. 2007. PMID: 17488008

5

Ultrafast deactivation channel for thymine dimerization.

Boggio-Pasqua M, Groenhof G, Schäfer LV, Grubmüller H, Robb MA. Boggio-Pasqua M, et al. Among authors: groenhof g. J Am Chem Soc. 2007 Sep 12;129(36):10996-7. doi: 10.1021/ja073628j. Epub 2007 Aug 16. J Am Chem Soc. 2007. PMID: 17696541 No abstract available.

6

Arginine52 controls the photoisomerization process in photoactive yellow protein.

Groenhof G, Schäfer LV, Boggio-Pasqua M, Grubmüller H, Robb MA. Groenhof G, et al. J Am Chem Soc. 2008 Mar 19;130(11):3250-1. doi: 10.1021/ja078024u. Epub 2008 Feb 23. J Am Chem Soc. 2008. PMID: 18293978 Free article. No abstract available.

7

Chromophore protonation state controls photoswitching of the fluoroprotein asFP595.

Schäfer LV, Groenhof G, Boggio-Pasqua M, Robb MA, Grubmüller H. Schäfer LV, et al. Among authors: groenhof g. PLoS Comput Biol. 2008 Mar 21;4(3):e1000034. doi: 10.1371/journal.pcbi.1000034. PLoS Comput Biol. 2008. PMID: 18369426 Free PMC article.

8

Inclusion of ionization states of ligands in affinity calculations.

Donnini S, Villa A, Groenhof G, Mark AE, Wierenga RK, Juffer AH. Donnini S, et al. Among authors: groenhof g. Proteins. 2009 Jul;76(1):138-50. doi: 10.1002/prot.22326. Proteins. 2009. PMID: 19089986

9

Molecular basis of the light-driven switching of the photochromic fluorescent protein Padron.

Brakemann T, Weber G, Andresen M, Groenhof G, Stiel AC, Trowitzsch S, Eggeling C, Grubmüller H, Hell SW, Wahl MC, Jakobs S. Brakemann T, et al. Among authors: groenhof g. J Biol Chem. 2010 May 7;285(19):14603-9. doi: 10.1074/jbc.M109.086314. Epub 2010 Mar 16. J Biol Chem. 2010. PMID: 20236929 Free PMC article.

10

g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.

Wolf MG, Hoefling M, Aponte-Santamaría C, Grubmüller H, Groenhof G. Wolf MG, et al. Among authors: groenhof g. J Comput Chem. 2010 Aug;31(11):2169-74. doi: 10.1002/jcc.21507. J Comput Chem. 2010. PMID: 20336801

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