Publications

What is a Publication?

455 Publications visible to you, out of a total of 455

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

Pathways and Mechanisms for Product Release in the Engineered Haloalkane Dehalogenases Explored Using Classical and Random Acceleration Molecular Dynamics Simulations

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Martin Klvana, Martina Pavlova, Tana Koudelakova, Radka Chaloupkova, Pavel Dvorak, Zbynek Prokop, Alena Stsiapanava, Michal Kuty, Ivana Kuta-Smatanova, Jan Dohnalek, Petr Kulhanek, Rebecca C. Wade, Jiri Damborsky