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Paulikat, Mirko
22  Ergebnisse:
Personensuche X
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1

Physical Chemistry of Chloroquine Permeation through the Ce..:

Paulikat, Mirko ; Piccini, GiovanniMaria ; Ippoliti, Emiliano...
Journal of Chemical Information and Modeling.  63 (2023)  22 - p. 7124-7132 , 2023
Link: https://doi.org/10.1021/..
 
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2

Drug Design in the Exascale Era: A Perspective from Massive..:

Raghavan, Bharath ; Paulikat, Mirko ; Ahmad, Katya...
Journal of Chemical Information and Modeling.  63 (2023)  12 - p. 3647-3658 , 2023
Link: https://doi.org/10.1021/..
 
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3

Molecular Dynamics and Structural Studies of Zinc Chloroqui..:

Paulikat, Mirko ; Vitone, Daniele ; Schackert, Florian K....
Journal of Chemical Information and Modeling.  63 (2022)  1 - p. 161-172 , 2022
Link: https://doi.org/10.1021/..
 
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4

Proton Transfers to DNA in Native Electrospray Ionization M..:

Paulikat, Mirko ; Aranda, Juan ; Ippoliti, Emiliano..
The Journal of Physical Chemistry Letters.  13 (2022)  51 - p. 12004-12010 , 2022
Link: https://doi.org/10.1021/..
 
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5

A high-throughput computational approach to UV-Vis spectra ..:

Paulikat, Mirko ; Mata, Ricardo A. ; Gelabert, Ricard
Physical Chemistry Chemical Physics.  21 (2019)  37 - p. 20678-20692 , 2019
Link: https://doi.org/10.1039/..
 
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6

Low-barrier hydrogen bonds in enzyme cooperativity:

Dai, Shaobo ; Funk, Lisa-Marie ; von Pappenheim, Fabian Rabe...
Nature.  573 (2019)  7775 - p. 609-613 , 2019
Link: https://doi.org/10.1038/..
 
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7

Theoretical Studies of the Electronic Absorption Spectra of..:

Paulikat, Mirko ; Wechsler, Cindy ; Tittmann, Kai.
Biochemistry.  56 (2017)  13 - p. 1854-1864 , 2017
Link: https://doi.org/10.1021/..
 
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8

Molecular Dynamics and Structural Studies of Zinc Chloroqui..:

Paulikat, Mirko ; Vitone, Daniele ; Schackert, Florian K...
info:eu-repo/semantics/altIdentifier/pmid/36468829.  , 2023
Link: https://hdl.handle.net/1..
 
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9

Physical Chemistry of Chloroquine Permeation through the Ce..:

Paulikat, Mirko ; Piccini, GiovanniMaria ; Ippoliti, Emiliano...
info:eu-repo/semantics/altIdentifier/doi/10.34734/FZJ-2023-05014.  , 2023
Link: https://juser.fz-juelich..
 
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10

Drug Design in the Exascale Era: A Perspective from Massive..:

Raghavan, Bharath ; Paulikat, Mirko ; Ahmad, Katya...
info:eu-repo/semantics/altIdentifier/wos/WOS:001020993900001.  , 2023
Link: https://juser.fz-juelich..
 
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11

Physical Chemistry of Chloroquine Permeation through the Ce..:

Paulikat, Mirko ; Piccini, GiovanniMaria ; Ippoliti, Emiliano...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10685453/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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12

Drug Design in the Exascale Era: A Perspective from Massive..:

Raghavan, Bharath ; Paulikat, Mirko ; Ahmad, Katya...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10302481/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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13

Proton transfers to dna in native electrospray ionization m..:

Paulikat, Mirko ; Aranda, Juan ; Ippoliti, Emiliano..
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpclett.2c03100.  , 2022
Link: https://publications.rwt..
 
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14

Proton Transfers to DNA in Native Electrospray Ionization M..:

Paulikat, Mirko ; Aranda, Juan ; Ippoliti, Emiliano..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9806827/.  , 2022
Link: http://www.ncbi.nlm.nih...
 
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15

Computational Studies of ThDP-Dependent Enzymes:

Paulikat, Mirko
http://hdl.handle.net/11858/00-1735-0000-002E-E5EB-D.  , 2019
Link: http://hdl.handle.net/11..
 
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