Publications

1579 Publications visible to you, out of a total of 1579

Design and characterization of a mutation outside the active site of human thymidylate synthase that affects ligand binding

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: 1st Feb 2010

Publication Type: Journal

DOI: 10.1093/protein/gzp075

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

Created: 6th Dec 2019 at 16:04, Last updated: 6th Dec 2019 at 16:04

Unusual Complexes of Trapped Methanol with Azacryptands

Computational Carbon Chemistry

Abstract (Expand)

Structural analysis of sulfate complexes of two different azacryptands crystallized under identical conditions in the presence of methanol and water reveals that one methanol is selectively trapped in …

Authors: Md. Alamgir Hossain, Musabbir A. Saeed, Ganna Gryn'ova, Douglas R. Powell, Jerzy Leszczynski

Date Published: 2010

Publication Type: Journal

DOI: 10.1039/C0CE00162G

Citation: CrystEngComm 12(12):4042

Created: 5th Nov 2019 at 14:40, Last updated: 5th Mar 2024 at 21:24

Comparative binding energy analysis for binding affinity and target selectivity prediction

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Stefan Henrich, Isabella Feierberg, Ting Wang, Niklas Blomberg, Rebecca C. Wade

Date Published: 2010

Publication Type: Journal

DOI: 10.1002/prot.22579

Citation: Proteins 78(1):135-153

Created: 6th Dec 2019 at 16:12, Last updated: 5th Mar 2024 at 21:24

Katalytische Wasserstofferzeugung an einem einkernigen Eisen(II)- Carbonylkomplex als kleinstes funktionelles Modell fuer das aktive Zentrum von [FeFe]-Hydrogenasen

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Sandeep Kaur-Ghumaan, Lennart Schwartz, Reiner Lomoth, Matthias Stein, Sascha Ott

Date Published: 2010

Publication Type: Journal

DOI: 10.1002/ange.201002719

Citation: Angewandte Chemie 122(43):8207-8211

Created: 6th Dec 2019 at 21:19

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