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          Institute: MPI für biophysikalische Chemie     Collection: Theoretische und computergestützte Biophysik (Dr. Helmut Grubmüller)     Display Documents


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Web interface for brownian dynamics simulation of ion transport and its applications to beta-barrel pores.
Authors: Lee, K. I.; Jo, S.; Rui, H.; Egwolf, B.; Roux, B.; Pastor, R. W.; Im, W.
Date of Publication (YYYY-MM-DD): 2012-01-30
Title of Journal: Journal of Computational Chemistry
Volume: 33
Issue / Number: 3
Start Page: 331
End Page: 339
Sequence Number of Article: DOI: 10.1002/jcc.21952
Document Type: Article
ID: 577054.0
Linear-scaling soft-core scheme for alchemical free energy calculations.
Authors: Buelens, F. P.; Grubmüller, H.
Date of Publication (YYYY-MM-DD): 2012-01-05
Title of Journal: Journal of Computational Chemistry
Volume: 33
Issue / Number: 1
Start Page: 25
End Page: 33
Document Type: Article
ID: 576016.0
Quantitative assessment of protein interaction with methyl-lysine analogues by hybrid computational and experimental approaches.
Authors: Seeliger, D.; Sörös, S.; Klingberg, R.; Schwarzer, D.; Grubmüller, H.; Fischle, W.
Date of Publication (YYYY-MM-DD): 2012-01
Title of Journal: ACS Chemical Biology
Volume: 7
Issue / Number: 1
Start Page: 150
End Page: 154
Sequence Number of Article: DOI: 10.1021/cb200363r
Document Type: Article
ID: 574008.0
Simulations and experiments: How close can we get?
Authors: Höfling, M.
Name of University: Ludwig-Maximilians-Universität München
Place of University: München
Date of Approval (YYYY-MM-DD): 2011-12-08
Document Type: PhD-Thesis
ID: 576414.0
FT-IR, UV-vis, (1)H and (13)C NMR spectra and the equilibrium structure of organic dye molecule disperse red 1 acrylate: A combined experimental and theoretical analysis.
Authors: Cinar, M.; Coruh, A.; Karabacak, M.
Date of Publication (YYYY-MM-DD): 2011-12
Title of Journal: Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
Volume: 83
Issue / Number: 1
Start Page: 561
End Page: 569
Document Type: Article
ID: 575354.0
Ouabain binding site in a functioning Na(+)/K(+) ATPase.
Authors: Sandtner, W.; Egwolf, B.; Khalili-Araghi, F.; Sanchez-Rodriguez, J. E.; Roux, B.; Bezanilla, F.; Holmgren, M.
Date of Publication (YYYY-MM-DD): 2011-11-04
Title of Journal: Journal of Biological Chemistry
Volume: 286
Issue / Number: 44
Start Page: 38177
End Page: 38183
Document Type: Article
ID: 573900.0
Towards computional specificity screening of DNA-binding proteins.
Authors: Seeliger, D.; Buelens, F. P.; Götte, M.; de Groot, B. L.; Grubmüller, H.
Date of Publication (YYYY-MM-DD): 2011-10
Title of Journal: Nucleic Acids Research
Volume: 39
Issue / Number: 19
Start Page: 8281
End Page: 8290
Document Type: Article
ID: 573705.0
Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
Authors: Lopez, M.; Vu, H.; Wang, C. K.; Wolf, M. G.; Groenhof, G.; Innocenti, A.; Supuran, C. T.; Poulsen, S. A.
Date of Publication (YYYY-MM-DD): 2011-09-29
Title of Journal: Journal of the American Chemical Society
Volume: 133
Issue / Number: 45
Start Page: 18452
End Page: 18462
Document Type: Article
ID: 574015.0
Steering excited state dynamics of biological chromophores by external electric fields.
Authors: Knoch, F.
Type of Thesis (e.g.Diploma): bachelor
Date of Approval (YYYY-MM-DD): 2011-09
Name of University: Georg-August-Universität Göttingen
Place of University: Göttingen
Document Type: Thesis
ID: 573918.0
New insights into the mechanism of mechanical regulation on thiol/disulfide exchange.
Authors: Li, W.; Edwards, S.; Graeter, F.; Groenhof, G.
Name of Conference/Meeting: 8th EBSA European Biophysics Congress
Title of Journal: European Biophysics Journal
Volume (in Journal): 40
Issue / Number: Supplement 1
Start Page: 110
End Page: 110
Document Type: Conference-Paper
ID: 577442.0
Entries: 1-10  
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