E-LIB Suche - Ergebnisse für: Homeyer, Nadine

1

Extracting binding energies and binding modes from biomolec..:

Schmitz, Birte ; Frieg, Benedikt ; Homeyer, Nadine..
Archiv der Pharmazie. 357 (2024) 5 - p. , 2024

Link: https://doi.org/10.1002/..

2

Author Correction: Cyclin-dependent kinase 12 is a drug tar..:

Wyllie, Susan ; Thomas, Michael ; Patterson, Stephen...
Nature. 619 (2023) 7970 - p. E48-E48 , 2023

Link: https://doi.org/10.1038/..

3

Design and Synthesis of Covalent Inhibitors of FabA:

Martin, James S. ; Mackenzie, Claire J. ; Lin, De...
ACS Omega. 8 (2023) 14 - p. 12787-12804 , 2023

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

4

A platform for target prediction of phenotypic screening hi..:

Homeyer, Nadine ; van Deursen, Ruud ; Ochoa-Montaño, Bernardo...
Journal of Molecular Graphics and Modelling. 95 (2020) - p. 107485 , 2020

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

5

Mechanism of Fully Reversible, pH-Sensitive Inhibition of H..:

Frieg, Benedikt ; Görg, Boris ; Qvartskhava, Natalia...
Journal of Chemical Theory and Computation. 16 (2020) 7 - p. 4694-4705 , 2020

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

6

Cyclin-dependent kinase 12 is a drug target for visceral le..:

Wyllie, Susan ; Thomas, Michael ; Patterson, Stephen...
Nature. 560 (2018) 7717 - p. 192-197 , 2018

Link: https://doi.org/10.1038/..

7

Alchemical Free Energy Calculations and Isothermal Titratio..:

Ioannidis, Harris ; Drakopoulos, Antonios ; Tzitzoglaki, Christina...
Journal of Chemical Information and Modeling. 56 (2016) 5 - p. 862-876 , 2016

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

8

Interpreting Thermodynamic Profiles of Aminoadamantane Comp..:

Homeyer, Nadine ; Ioannidis, Harris ; Kolarov, Felix...
Journal of Chemical Information and Modeling. 56 (2016) 1 - p. 110-126 , 2016

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

9

Molecular Mechanisms of Glutamine Synthetase Mutations that..:

Frieg, Benedikt ; Görg, Boris ; Homeyer, Nadine...
PLOS Computational Biology. 12 (2016) 2 - p. e1004693 , 2016

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

10

Complex long-distance effects of mutations that confer line..:

Fulle, Simone ; Saini, Jagmohan S. ; Homeyer, Nadine.
Nucleic Acids Research. 43 (2015) 16 - p. 7731-7743 , 2015

Link: https://doi.org/10.1093/..

11

Extension of the free energy workflow FEW towards implicit ..:

Homeyer, Nadine ; Gohlke, Holger
Biochimica et Biophysica Acta (BBA) - General Subjects. 1850 (2015) 5 - p. 972-982 , 2015

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

12

Binding Free Energy Calculations for Lead Optimization: Ass..:

Homeyer, Nadine ; Stoll, Friederike ; Hillisch, Alexander.
Journal of Chemical Theory and Computation. 10 (2014) 8 - p. 3331-3344 , 2014

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

13

Glutamine synthetase mutations that cause glutamine deficie..:

Frieg, Benedikt ; Homeyer, Nadine ; Häussinger, Dieter.
European Journal of Medical Research. 19 (2014) S1 - p. , 2014

Link: https://doi.org/10.1186/..

14

FEW: A workflow tool for free energy calculations of ligand..:

Homeyer, Nadine ; Gohlke, Holger
Journal of Computational Chemistry. 34 (2013) 11 - p. 965-973 , 2013

Link: https://doi.org/10.1002/..

15

Determinants of the species selectivity of oxazolidinone an..:

Saini, Jagmohan S. ; Homeyer, Nadine ; Fulle, Simone.
bchm. 394 (2013) 11 - p. 1529-1541 , 2013

Link: https://doi.org/10.1515/..