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TUHH Open Research (TORE)
Journal of chemical information and modeling
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Details
Journal
Name
Journal of chemical information and modeling
JCR Abbreviation
J CHEM INF MODEL
Alternative title(s)
Chemical information and modeling
ISSN
1549-9596
ZDB-ID
2178096-1
Articles in this Journal
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Author
2
Depta, Philipp Nicolas
2
Dosta, Maksym
2
Heinrich, Stefan
2
Jandt, Uwe
2
Zeng, An-Ping
1
Forgács, Attila
1
Gurikov, Pavel
1
Hezaveh, Samira
1
Kalmár, József
1
Marchese, Leonardo
.
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Subject
1
540: Chemie
1
Alginate
1
Biopolymers
1
Catalytic Domain
1
Gelation
1
Humans
1
Langevin dynamics
1
Molecular Dynamics Simulation
1
Multienzyme Complexes
1
Multiscale modeling
.
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Date issued
1
2020 - 2023
2
2010 - 2019
Type
3
Article
Fulltext
2
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1
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Title
Author(s)
1
10-Jan-2022
DEM-based approach for the modeling of gelation and its application to alginate
Depta, Philipp Nicolas
;
Gurikov, Pavel
;
Schroeter, Baldur
;
Forgács, Attila
;
Kalmár, József
;
Paul, Geo
;
Marchese, Leonardo
;
Heinrich, Stefan
;
Dosta, Maksym
2
28-Jan-2019
Toward Multiscale Modeling of Proteins and Bioagglomerates: An Orientation-Sensitive Diffusion Model for the Integration of Molecular Dynamics and the Discrete Element Method
Depta, Philipp Nicolas
;
Jandt, Uwe
;
Dosta, Maksym
;
Zeng, An-Ping
;
Heinrich, Stefan
3
Feb-2018
Full enzyme complex simulation: interactions in human pyruvate dehydrogenase complex
Hezaveh, Samira
;
Zeng, An-Ping
;
Jandt, Uwe
