E-LIB Suche - Ergebnisse für: Kirschner, Karl N.

1

Determining Lennard-Jones Parameters Using Multiscale Targe..:

Müller, Max ; Hagg, Alexander ; Strickstrock, Robin...
Journal of Chemical Information and Modeling. 63 (2023) 7 - p. 1872-1881 , 2023

Link: https://doi.org/10.1021/..

2

Open-Source Machine Learning in Computational Chemistry:

Hagg, Alexander ; Kirschner, Karl N.
Journal of Chemical Information and Modeling. 63 (2023) 15 - p. 4505-4532 , 2023

Link: https://doi.org/10.1021/..

3

Optimizing Lennard-Jones parameters by coupling single mole..:

Strickstrock, Robin ; Hülsmann, Marco ; Reith, Dirk.
Computer Physics Communications. 274 (2022) - p. 108285 , 2022

Link: https://doi.org/10.1016/..

4

Mebendazole's Conformational Space and Its Predicted Bindin..:

Fiedler, Walter ; Freisleben, Fabian ; Wellbrock, Jasmin.
Journal of Chemical Information and Modeling. 62 (2022) 15 - p. 3604-3617 , 2022

Link: https://doi.org/10.1021/..

5

Mebendazole Mediates Proteasomal Degradation of GLI Transcr..:

Freisleben, Fabian ; Modemann, Franziska ; Muschhammer, Jana...
International Journal of Molecular Sciences. 22 (2021) 19 - p. 10670 , 2021

Link: https://doi.org/10.3390/..

6

Interaction of natural flavonoid eriocitrin with β-cyclodex..:

Cesari, Andrea ; Uccello Barretta, Gloria ; Kirschner, Karl N....
New Journal of Chemistry. 44 (2020) 38 - p. 16431-16441 , 2020

Link: https://doi.org/10.1039/..

7

Teaching Technical Journalism with an Engineering Foundatio:

, In: 2020 IEEE Global Engineering Education Conference (EDUCON),

Kirschner, Karl N. ; Keil, Susanne ; Seuser, Katharina. - p. 808-813 , 2020

Link: https://doi.org/10.1109/..

8

The performance of Dunning, Jensen, and Karlsruhe basis set..:

Kirschner, Karl N. ; Reith, Dirk ; Heiden, Wolfgang
Soft Materials. 18 (2020) 2-3 - p. 200-214 , 2020

Link: https://doi.org/10.1080/..

9

ACPYPE update for nonuniform 1–4 scale factors: Conversion ..:

Bernardi, Austen ; Faller, Roland ; Reith, Dirk.
SoftwareX. 10 (2019) - p. 100241 , 2019

Link: https://doi.org/10.1016/..

10

Molecular Dynamics in the Energy Sector: Experiment and Mod..:

Schenk, Martin R. ; Köddermann, Thorsten ; Kirschner, Karl N...
Journal of Chemical & Engineering Data. 65 (2019) 3 - p. 1117-1123 , 2019

Link: https://doi.org/10.1021/..

11

Interactions of Water and Alkanes: Modifying Additive Force..:

Krämer, Andreas ; Pickard IV, Frank C. ; Huang, Jing...
Journal of Chemical Theory and Computation. 15 (2019) 6 - p. 3854-3867 , 2019

Link: https://doi.org/10.1021/..

12

Structural analysis of human glycoprotein butyrylcholineste..:

Bernardi, Austen ; Kirschner, Karl N. ; Faller, Roland.
PLOS ONE. 12 (2017) 11 - p. e0187994 , 2017

Link: https://doi.org/10.1371/..

13

Relative electronic and free energies of octane's unique co..:

Kirschner, Karl N. ; Heiden, Wolfgang ; Reith, Dirk
Molecular Physics. 115 (2016) 9-12 - p. 1155-1165 , 2016

Link: https://doi.org/10.1080/..

14

Optimized atomistic force fields for aqueous solutions of M..:

Elfgen, Roman ; Hülsmann, Marco ; Krämer, Andreas...
The European Physical Journal Special Topics. 225 (2016) 8-9 - p. 1391-1409 , 2016

Link: https://doi.org/10.1140/..

15

Visualizing potential energy curves and conformations on ul..:

Kirschner, Karl N. ; Reith, Dirk ; Jato, Oliver.
Journal of Molecular Graphics and Modelling. 62 (2015) - p. 174-180 , 2015

Link: https://doi.org/10.1016/..