Ulrich Kleinekathöfer

Publication Activity (10 Years)

Years Active: 2010-2023
Publications (10 Years): 4

Top Topics

Electron Microscopy

Reference Object

Industrial Applications

Top Venues

J. Chem. Inf. Model.

Publications

Abhishek Acharya, Ishan Ghai, Claudio Piselli, Jigneshkumar Dahyabhai Prajapati, Roland Benz, Mathias Winterhalter, Ulrich Kleinekathöfer
Conformational Dynamics of Loop L3 in OmpF: Implications toward Antibiotic Translocation and Voltage Gating. J. Chem. Inf. Model. 63 (3) (2023)
Vivin Vinod, Sayan Maity, Peter Zaspel, Ulrich Kleinekathöfer
Multi-Fidelity Machine Learning for Excited State Energies of Molecules. CoRR (2023)
Jigneshkumar Dahyabhai Prajapati, Crystal Mele, Mehmet Alphan Aksoyoglu, Mathias Winterhalter, Ulrich Kleinekathöfer
Computational Modeling of Ion Transport in Bulk and through a Nanopore Using the Drude Polarizable Force Field. J. Chem. Inf. Model. 60 (6) (2020)
John W. Vant, Shae-Lynn J. Lahey, Kalyanashis Jana, Mrinal Shekhar, Daipayan Sarkar, Barbara H. Munk, Ulrich Kleinekathöfer, Sumit Mittal, Christopher N. Rowley, Abhishek Singharoy
Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials. J. Chem. Inf. Model. 60 (5) (2020)
Robert Schulz, Attilio Vittorio Vargiu, Francesca Collu, Ulrich Kleinekathöfer, Paolo Ruggerone
Functional Rotation of the Transporter AcrB: Insights into Drug Extrusion from Simulations. PLoS Comput. Biol. 6 (6) (2010)