Transitions between Closed and Open Conformations of TolC: The Effects of Ions in Simulations

Por Schulz, Robert, Kleinekathöfer, Ulrich
Publicado em 2009

Domain motion of individual F(1)-ATPase β-subunits during unbiased molecular dynamics simulations

Por Kleinekathöfer, Ulrich, Isralewitz, Barry, Dittrich, Markus, Schulten, Klaus
Publicado em 2011

Theory and Simulation of the Environmental Effects on FMO Electronic Transitions

Por Olbrich, Carsten, Strümpfer, Johan, Schulten, Klaus, Kleinekathöfer, Ulrich
Publicado em 2011

The quest for spatially correlated fluctuations in the FMO light-harvesting complex

Por Olbrich, Carsten, Strümpfer, Johan, Schulten, Klaus, Kleinekathöfer, Ulrich
Publicado em 2010

Computational Study of Correlated Domain Motions in the AcrB Efflux Transporter

Por Schulz, Robert, Vargiu, Attilio V., Ruggerone, Paolo, Kleinekathöfer, Ulrich
Publicado no Biomed Res Int (2015)

Comparing the Temperature-Dependent Conductance of the Two Structurally Similar E. coli Porins OmpC and OmpF

Por Biró, István, Pezeshki, Soroosh, Weingart, Helge, Winterhalter, Mathias, Kleinekathöfer, Ulrich
Publicado em 2010

Juxtaposing density matrix and classical path-based wave packet dynamics

Por Aghtar, Mortaza, Liebers, Jörg, Strümpfer, Johan, Schulten, Klaus, Kleinekathöfer, Ulrich
Publicado em 2012

The FMO Complex in a Glycerol-Water Mixture

Por Aghtar, Mortaza, Strümpfer, Johan, Olbrich, Carsten, Schulten, Klaus, Kleinekathöfer, Ulrich
Publicado em 2013

Understanding Ion Conductance on a Molecular Level: An All-Atom Modeling of the Bacterial Porin OmpF

Por Pezeshki, Soroosh, Chimerel, Catalin, Bessonov, Andrey N., Winterhalter, Mathias, Kleinekathöfer, Ulrich
Publicado em 2009

Functional Rotation of the Transporter AcrB: Insights into Drug Extrusion from Simulations

Por Schulz, Robert, Vargiu, Attilio V., Collu, Francesca, Kleinekathöfer, Ulrich, Ruggerone, Paolo
Publicado em 2010

Outer-membrane translocation of bulky small molecules by passive diffusion

Por van den Berg, Bert, Prathyusha Bhamidimarri, Satya, Dahyabhai Prajapati, Jigneshkumar, Kleinekathöfer, Ulrich, Winterhalter, Mathias
Publicado no Proc Natl Acad Sci U S A (2015)

Role of Electroosmosis in the Permeation of Neutral Molecules: CymA and Cyclodextrin as an Example

Por Bhamidimarri, Satya Prathyusha, Prajapati, Jigneshkumar Dahyabhai, van den Berg, Bert, Winterhalter, Mathias, Kleinekathöfer, Ulrich
Publicado no Biophys J (2016)

DNA condensation by TmHU studied by optical tweezers, AFM and molecular dynamics simulations

Por Wagner, Carolin, Olbrich, Carsten, Brutzer, Hergen, Salomo, Mathias, Kleinekathöfer, Ulrich, Keyser, Ulrich F., Kremer, Friedrich
Publicado em 2010

Structure, Dynamics, and Substrate Specificity of the OprO Porin from Pseudomonas aeruginosa

Por Modi, Niraj, Ganguly, Sonalli, Bárcena-Uribarri, Iván, Benz, Roland, van den Berg, Bert, Kleinekathöfer, Ulrich
Publicado no Biophys J (2015)

Corynebacterium jeikeium jk0268 Constitutes for the 40 Amino Acid Long PorACj, Which Forms a Homooligomeric and Anion-Selective Cell Wall Channel

Por Abdali, Narges, Barth, Enrico, Norouzy, Amir, Schulz, Robert, Nau, Werner M., Kleinekathöfer, Ulrich, Tauch, Andreas, Benz, Roland
Publicado em 2013

From atomistic modeling to excitation transfer and two-dimensional spectra of the FMO light-harvesting complex

Por Olbrich, Carsten, Jansen, Thomas L. C., Liebers, Jörg, Aghtar, Mortaza, Strümpfer, Johan, Schulten, Klaus, Knoester, Jasper, Kleinekathöfer, Ulrich
Publicado em 2011

OmpW of Caulobacter crescentus Functions as an Outer Membrane Channel for Cations

Por Benz, Roland, Jones, Michael D., Younas, Farhan, Maier, Elke, Modi, Niraj, Mentele, Reinhard, Lottspeich, Friedrich, Kleinekathöfer, Ulrich, Smit, John
Publicado no PLoS One (2015)