Publications

452 Publications visible to you, out of a total of 452

Protein-protein complex formation affects the Ni-Fe and Fe-S centers in the H2-sensing regulatory hydrogenase from Ralstonia eutropha H16.

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Simone Löscher, Antje Gebler, Matthias Stein, Oliver Sanganas, Thorsten Buhrke, Ingo Zebger, Holger Dau, Bärbel Friedrich, Oliver Lenz, Michael Haumann

Date Published: 2010

Publication Type: Journal

DOI: 10.1002/cphc.200901007

Citation: Chem. Eur. J. of Chem. Phys. 11(6):1297-1306

Created: 6th Dec 2019 at 21:19

ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Aqueous Solvent

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Daria B. Kokh, Stefano Corni, Peter J. Winn, Martin Hoefling, Kay E. Gottschalk, Rebecca C. Wade

Date Published: 2010

Publication Type: Journal

DOI: 10.1021/ct100086j

Citation: J. Chem. Theory Comput. 6(5):1753-1768

Created: 6th Dec 2019 at 21:19

Foreword Preface to the JMR Special Issue on ‘Dynamic Aspects of Molecular Recognition’

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Olivier Michielin, Rebecca C. Wade

Date Published: 2010

Publication Type: Journal

DOI: 10.1002/jmr.1028

Citation: J. Mol. Recognit., 23: 101-101

Created: 6th Dec 2019 at 21:19, Last updated: 5th Mar 2024 at 21:24

Homodimeric Enzymes as Drug Targets

Molecular and Cellular Modeling

Abstract

Not specified

Authors: D. Cardinale, O.M.H. Salo-Ahen, G. Guaitoli, S. Ferrari, A. Venturelli, S. Franchini, R. Battini, G. Ponterini, R.C. Wade, M.P. Costi

Date Published: 2010

Publication Type: Journal

DOI: 10.1093/protein/gzp075

Citation: Protein Engineering, Design and Selection 23(2):81-89

Created: 6th Dec 2019 at 21:19

Computation and Modeling of Molecular Recognition: The Cysteine Synthase Complex

Molecular and Cellular Modeling

Abstract

Not specified

Author: Anna Feldman-Salit

Date Published: 2010

Publication Type: Doctoral Thesis

Citation: Combined Faculties of the Natural Sciences and for Mathematics, Ruperto-Carola University of Heidelberg

Created: 13th Dec 2019 at 14:28, Last updated: 5th Mar 2024 at 21:24

(I,0) Mixed-Valence State of a Diiron Complex with Pertinence to the [FeFe]-Hydrogenase Active Site: An IR, EPR, and Computational Study

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Pradyumna S. Singh, Hans Christian Rudbeck, Ping Huang, Salah Ezzaher, Lars Eriksson, Matthias Stein, Sascha Ott, Reiner Lomoth

Date Published: 7th Dec 2009

Publication Type: Journal

DOI: 10.1021/ic9016454

Citation: Inorg. Chem. 48(23):10883-10885

Created: 6th Dec 2019 at 16:18, Last updated: 5th Mar 2024 at 21:24

Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Martina Pavlova, Martin Klvana, Zbynek Prokop, Radka Chaloupkova, Pavel Banas, Michal Otyepka, Rebecca C Wade, Masataka Tsuda, Yuji Nagata, Jiri Damborsky

Date Published: 1st Oct 2009

Publication Type: Journal

DOI: 10.1038/nchembio.205

Citation: Nat Chem Biol 5(10):727-733

Created: 6th Dec 2019 at 16:23, Last updated: 5th Mar 2024 at 21:24

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