Quantum biology revisited J Cao, RJ Cogdell, DF Coker, HG Duan, J Hauer, U Kleinekathöfer, ... Science Advances 6 (14), eaaz4888, 2020 | 392 | 2020 |
Excitons in a photosynthetic light-harvesting system: a combined molecular dynamics, quantum chemistry, and polaron model study A Damjanović, I Kosztin, U Kleinekathöfer, K Schulten Physical Review E 65 (3), 031919, 2002 | 349 | 2002 |
From atomistic modeling to excitation transfer and two-dimensional spectra of the FMO light-harvesting complex C Olbrich, TLC Jansen, J Liebers, M Aghtar, J Strümpfer, K Schulten, ... The Journal of Physical Chemistry B 115 (26), 8609-8621, 2011 | 264 | 2011 |
Theory and simulation of the environmental effects on FMO electronic transitions C Olbrich, J Strümpfer, K Schulten, U Kleinekathöfer The journal of physical chemistry letters 2 (14), 1771-1776, 2011 | 257 | 2011 |
Structural basis for nutrient acquisition by dominant members of the human gut microbiota AJ Glenwright, KR Pothula, SP Bhamidimarri, DS Chorev, A Baslé, ... Nature 541 (7637), 407-411, 2017 | 223 | 2017 |
AcrB Drug-binding Pocket Substitution Confers Clinically Relevant Resistance and Altered Substrate Specificity J. M. A. Blair, V. N. Bavro, V. Ricci, N. Modi, P. Cacciotto, U ... Proc. Natl. Acad. Sci. USA 112, 3511–3516, 0 | 198* | |
Quest for spatially correlated fluctuations in the FMO light-harvesting complex C Olbrich, J Strümpfer, K Schulten, U Kleinekathöfer The Journal of Physical Chemistry B 115 (4), 758-764, 2011 | 182 | 2011 |
Time-dependent atomistic view on the electronic relaxation in light-harvesting system II C Olbrich, U Kleinekathöfer The Journal of Physical Chemistry B 114 (38), 12427-12437, 2010 | 179 | 2010 |
The influence of ultrafast laser pulses on electron transfer in molecular wires studied by a non-Markovian density-matrix approach S Welack, M Schreiber, U Kleinekathöfer The Journal of chemical physics 124 (4), 2006 | 154 | 2006 |
Non-Markovian theories based on a decomposition of the spectral density U Kleinekathöfer The Journal of chemical physics 121 (6), 2505-2514, 2004 | 154 | 2004 |
How to enter a bacterium: bacterial porins and the permeation of antibiotics JD Prajapati, U Kleinekathöfer, M Winterhalter Chemical reviews 121 (9), 5158-5192, 2021 | 149 | 2021 |
Structural basis for maintenance of bacterial outer membrane lipid asymmetry J Abellón-Ruiz, SS Kaptan, A Baslé, B Claudi, D Bumann, ... Nature microbiology 2 (12), 1616-1623, 2017 | 144 | 2017 |
Atoms to phenotypes: molecular design principles of cellular energy metabolism A Singharoy, C Maffeo, KH Delgado-Magnero, DJK Swainsbury, M Sener, ... Cell 179 (5), 1098-1111. e23, 2019 | 139 | 2019 |
Calculation of absorption spectra for light-harvesting systems using non-Markovian approaches as well as modified Redfield theory M Schröder, U Kleinekathöfer, M Schreiber The Journal of chemical physics 124 (8), 2006 | 139 | 2006 |
Long range binding in alkali-helium pairs U Kleinekathöfer, M Lewerenz, M Mladenović Physical review letters 83 (23), 4717, 1999 | 119 | 1999 |
Functional rotation of the transporter AcrB: insights into drug extrusion from simulations R Schulz, AV Vargiu, F Collu, U Kleinekathöfer, P Ruggerone PLoS computational biology 6 (6), e1000806, 2010 | 109 | 2010 |
Potentials for some rare gas and alkali-helium systems calculated from the surface integral method U Kleinekathöfer, KT Tang, JP Toennies, CL Yiu Chemical physics letters 249 (3-4), 257-263, 1996 | 109 | 1996 |
Influence of Force Fields and Quantum Chemistry Approach on Spectral Densities of BChl a in Solution and in FMO Proteins S Chandrasekaran, M Aghtar, S Valleau, A Aspuru-Guzik, ... The Journal of Physical Chemistry B 119 (31), 9995-10004, 2015 | 108 | 2015 |
Understanding ion conductance on a molecular level: an all-atom modeling of the bacterial porin OmpF S Pezeshki, C Chimerel, AN Bessonov, M Winterhalter, U Kleinekathöfer Biophysical journal 97 (7), 1898-1906, 2009 | 101 | 2009 |
Solvent fluctuations drive the hole transfer in DNA: a mixed quantum− classical study T Kubař, U Kleinekathöfer, M Elstner The Journal of Physical Chemistry B 113 (39), 13107-13117, 2009 | 100 | 2009 |