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Köfinger, Jürgen
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1

Encoding prior knowledge in ensemble refinement:

Köfinger, Jürgen ; Hummer, Gerhard
The Journal of Chemical Physics.  160 (2024)  11 - p. , 2024
Link: https://doi.org/10.1063/..
 
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2

Nanoporous Membranes of Densely Packed Carbon Nanotubes For..:

Vögele, Martin ; Köfinger, Jürgen ; Hummer, Gerhard
ACS Applied Bio Materials.  7 (2022)  2 - p. 528-534 , 2022
Link: https://doi.org/10.1021/..
 
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3

TriMem: A parallelized hybrid Monte Carlo software for effi..:

Siggel, Marc ; Kehl, Sebastian ; Reuter, Klaus..
The Journal of Chemical Physics.  157 (2022)  17 - p. , 2022
Link: https://doi.org/10.1063/..
 
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4

Complexes++: Efficient and versatile coarse-grained simulat..:

Linke, Max ; Quoika, Patrick K. ; Bramas, Berenger..
The Journal of Chemical Physics.  157 (2022)  20 - p. , 2022
Link: https://doi.org/10.1063/..
 
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5

Global Structure of the Intrinsically Disordered Protein Ta..:

Stelzl, Lukas S. ; Pietrek, Lisa M. ; Holla, Andrea...
JACS Au.  2 (2022)  3 - p. 673-686 , 2022
Link: https://doi.org/10.1021/..
 
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6

Membrane fusion and drug delivery with carbon nanotube pori..:

Ho, Nga T. ; Siggel, Marc ; Camacho, Karen V....
Proceedings of the National Academy of Sciences.  118 (2021)  19 - p. , 2021
Link: https://doi.org/10.1073/..
 
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7

Empirical optimization of molecular simulation force fields..:

Köfinger, Jürgen ; Hummer, Gerhard
The European Physical Journal B.  94 (2021)  12 - p. , 2021
Link: https://doi.org/10.1140/..
 
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8

Solution Structure and Conformational Flexibility of a Poly..:

Klaus, Maja ; Rossini, Emanuele ; Linden, Andreas...
JACS Au.  1 (2021)  12 - p. 2162-2171 , 2021
Link: https://doi.org/10.1021/..
 
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9

Quantifying Protein–Protein Interactions in Molecular Simul..:

Jost Lopez, Alfredo ; Quoika, Patrick K. ; Linke, Max..
The Journal of Physical Chemistry B.  124 (2020)  23 - p. 4673-4685 , 2020
Link: https://doi.org/10.1021/..
 
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10

MDBenchmark: A toolkit to optimize the performance of molec..:

Gecht, Michael ; Siggel, Marc ; Linke, Max..
The Journal of Chemical Physics.  153 (2020)  14 - p. , 2020
Link: https://doi.org/10.1063/..
 
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11

Efficient Ensemble Refinement by Reweighting:

Köfinger, Jürgen ; Stelzl, Lukas S. ; Reuter, Klaus...
Journal of Chemical Theory and Computation.  15 (2019)  5 - p. 3390-3401 , 2019
Link: https://doi.org/10.1021/..
 
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12

Finite-Size-Corrected Rotational Diffusion Coefficients of ..:

Vögele, Martin ; Köfinger, Jürgen ; Hummer, Gerhard
The Journal of Physical Chemistry B.  123 (2019)  24 - p. 5099-5106 , 2019
Link: https://doi.org/10.1021/..
 
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13

Fragment Binding Pose Predictions Using Unbiased Simulation..:

Linker, Stephanie Maria ; Magarkar, Aniket ; Köfinger, Jürgen..
Journal of Chemical Theory and Computation.  15 (2019)  9 - p. 4974-4981 , 2019
Link: https://doi.org/10.1021/..
 
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14

CADISHI: Fast parallel calculation of particle-pair distanc..:

Reuter, Klaus ; Köfinger, Jürgen
Computer Physics Communications.  236 (2019)  - p. 274-284 , 2019
Link: https://doi.org/10.1016/..
 
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15

Molecular dynamics simulations of carbon nanotube porins in..:

Vögele, Martin ; Köfinger, Jürgen ; Hummer, Gerhard
Faraday Discussions.  209 (2018)  - p. 341-358 , 2018
Link: https://doi.org/10.1039/..
 
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