Ulrich Kleinekathöfer - Publications, H-index & Citations

Ulrich Kleinekathöfer

Constructor University

45H指数

240论文数

7.1K被引数

收录论文 96

发表时间

A self-assembled peptide forms α-helical nanopores for ultrasensitive biomarker profiling 自组装肽形成α-螺旋纳米孔以进行超高灵敏度生物标志物分析

Nature Nanotechnology

IF34.9

2026-08-28

OAAI

Varsha Shaji; Rajeev Jain; Neethu Puthumadathil; Kalyanashis Jana; Vedasmiritha T. S.; Ulrich Kleinekathöfer; Krishnananda Chattopadhyay; Kozhinjampara R. Mahendran

Glyphosate uptake pathway across the outer membrane of Pseudomonas aeruginosa草甘膦在铜绿假单胞菌外膜中的吸收途径

Biochimica et Biophysica Acta-General Subjects

IF2.2

2026-08-27

OAAI

Vinaya Kumar Golla; Roland Benz; Ulrich Kleinekathöfer; Claudio Piselli

Conformational plasticity enables functional switching in diatom light-harvesting complexes 构象可塑性使硅藻光捕集复合物的功能切换成为可能

Communications Chemistry

IF6.2

2025-12-05

OAAI

Theofani-Iosifina Sousani; Boutheina Zender; Sayan Maity; Ulrich Kleinekathöfer; Vangelis Daskalakis

Evaluation of uncertainty estimations for Gaussian process regression based machine learning interatomic potentials 基于高斯过程回归机器学习的原子间势能的不确定性估计评估

Machine Learning: Science and Technology

IF0

2025-10-27

OAAI

Matthias Holzenkamp; Dongyu Lyu; Ulrich Kleinekathöfer; Peter Zaspel

Multiscale Simulation of Primary Charge Separation Mechanisms in an LH1-RC Complex LH1-RC复合体中初级电荷分离机制的多尺度模拟

JACS Au

IF8.7

2025-10-23

OAAI

Sayan Maity; Ulrich Kleinekathöfer

Fabrication of cytotoxic mirror image nanopores 制备细胞毒性镜像纳米孔

Nature Communications

IF15.7

2025-10-02

OAAI

Neilah Firzan CA; Kalyanashis Jana; Sreelakshmi Radhakrishnan; Rifat Aara; Mubeena S; Radhika Nair; Harsha Bajaj; Ulrich Kleinekathöfer; Kozhinjampara R. Mahendran

Dynamic Coupling between Tom22 Motions and Tom40 Pore Dynamics Modulates Ion Transport in the Mitochondrial TOM Complex Tom22运动与Tom40孔道动力学之间的动态偶联调节线粒体TOM复合物的离子运输

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2025-10-01

PREAI

Acharya, Abhishek; Nussberger, Stephan; Wang, Shuo; Kleinekathofer, Ulrich

Excitation Energy Transfer between Porphyrin Dyes on a Clay Surface: A Study Employing Multifidelity Machine Learning 卟啉染料在黏土表面间的激发能传递：一项采用多保真度机器学习的研究

Advanced Theory and Simulations

IF2.9

2025-06-19

OAAI

Dongyu Lyu; Vivin Vinod; Matthias Holzenkamp; Yannick Marcel Holtkamp; Sayan Maity; Carlos R. Salazar; Ulrich Kleinekathöfer; Peter Zaspel

Exciton Transfer Simulations in a Light-Harvesting 2 Complex Reveal the Transient Delocalization Mechanism 光捕获2复合物中的激子转移模拟揭示了瞬态离域化机制

JOURNAL OF PHYSICAL CHEMISTRY B

IF2.9

2025-03-24

PREAI

Hoffmann, David S.; Dohmen, Philipp M.; Sokolov, Monja; Kleinekathoefer, Ulrich

Predicting Molecular Energies of Small Organic Molecules With Multi-Fidelity Methods

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2025-03-05

OAAI

Vinod, Vivin; Lyu, Dongyu; Ruth, Marcel; Schreiner, Peter R.; Kleinekathoefer, Ulrich; Zaspel, Peter

Improved Free-Energy Estimates for the Permeation of Bulky Antibiotic Molecules through Porin Channels Using Temperature-Accelerated Sliced Sampling

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-03-01

OAAI

Acharya, Abhishek; Kleinekathoefer, Ulrich

Spectral densities, structured noise and ensemble averaging within open quantum dynamics

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-10-01

OAAI

Holtkamp, Yannick Marcel; Godinez-Ramirez, Emiliano; Kleinekathoefer, Ulrich

An Unexpected Water Channel in the Light-Harvesting Complex of a Diatom: Implications for the Switch between Light Harvesting and Photoprotection

ACS PHYSICAL CHEMISTRY AU

IF4.3

2024-08-21

OAAI

Daskalakis, Vangelis; Maity, Sayan; Kleinekathoefer, Ulrich

Optimized multifidelity machine learning for quantum chemistry

MACHINE LEARNING-SCIENCE AND TECHNOLOGY

IF4.6

2024-03-25

OAAI

Vinod, Vivin; Kleinekathoefer, Ulrich; Zaspel, Peter

Multifidelity Machine Learning for Molecular Excitation Energies

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-10-20

OAAI

Vinod, Vivin; Maity, Sayan; Zaspel, Peter; Kleinekathoefer, Ulrich

Machine-learned correction to ensemble-averaged wave packet dynamics

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-09-06

PREAI

Holtkamp, Yannick; Kowalewski, Markus; Jasche, Jens; Kleinekathofer, Ulrich

BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B12 uptake in gut Bacteroides

NATURE COMMUNICATIONS

IF15.7

2023-08-05

OAAI

Abellon-Ruiz, Javier; Jana, Kalyanashis; Silale, Augustinas; Frey, Andrew M.; Basle, Arnaud; Trost, Matthias; Kleinekathoefer, Ulrich; van den Berg, Bert

Fast prediction of antibiotic permeability through membrane channels using Brownian dynamics

BIOPHYSICAL JOURNAL

IF3.1

2023-07-01

PREAI

Acharya, Abhishek; Jana, Kalyanashis; Gurvic, Dominik; Zachariae, Ulrich; Kleinekathofer, Ulrich

Conformational Dynamics of Loop L3 in OmpF: Implications toward Antibiotic Translocation and Voltage Gating OmpF中环L3的构象动力学: 对抗生素易位和电压门控的影响

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-12-16

PREAI

Acharya, Abhishek; Ghai, Ishan; Piselli, Claudio; Prajapati, Jigneshkumar Dahyabhai; Benz, Roland; Winterhalter, Mathias; Kleinekathoefer, Ulrich

Assembly of transmembrane pores from mirror-image peptides 从镜像肽组装跨膜孔

NATURE COMMUNICATIONS

IF15.7

2022-09-14

OAAI

Krishnan, Smrithi R.; Jana, Kalyanashis; Shaji, Amina H.; Nair, Karthika S.; Das, Anjali Devi; Vikraman, Devika; Bajaj, Harsha; Kleinekathoefer, Ulrich; Mahendran, Kozhinjampara R.

研究方向