Predicting the Supramolecular Assembly of Amphiphilic Peptides from Comprehensive Coarse-Grained Simulations

Saikat Chakraborty; Christian M. Berac; Moritz Urschbach; Daniel Spitzer; Markus Mezger; Pol Besenius; Thomas Speck

doi:10.1021/acsapm.1c01208

Predicting the Supramolecular Assembly of Amphiphilic Peptides from Comprehensive Coarse-Grained Simulations

Saikat Chakraborty
, Christian M. Berac
, Moritz Urschbach
, Daniel Spitzer
, Markus Mezger
, Pol Besenius
, Thomas Speck (Corresponding author)

Dynamics of Condensed Systems

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Pages (from-to)	822–831
Number of pages	10
Journal	ACS Applied Polymer Materials
Volume	4
Issue number	2
Early online date	15 Jan 2022
DOIs	https://doi.org/10.1021/acsapm.1c01208
Publication status	Published - 11 Feb 2022

Funding

We acknowledge financial support by the Deutsche Forschungsgemeinsch a f t (DFG) through the Research Training Group GRK 2516 (Grant No. 405 552 959) . C.M.B. has been supported through the DFG Graduate School "Materials Science in Mainz" (GSC 266) and the Max Planck Graduate Center with the Johannes Gutenberg-University Mainz (MPGC) . S.C. acknowledges Arghya Dutta and Atreyee Banerjee for their useful comments on the manuscript.

Austrian Fields of Science 2012

103023 Polymer physics

Keywords

supramolecular assembly
amphiphilic peptides
glutamic acid
lysine
MOLECULAR-DYNAMICS
NANOFIBERS
DENDRIMERS
ARTIFACTS
KINETICS
DEFECTS
CAPTURE
RELEASE
GROWTH
PH

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10.1021/acsapm.1c01208

Cite this

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title = "Predicting the Supramolecular Assembly of Amphiphilic Peptides from Comprehensive Coarse-Grained Simulations",

keywords = "supramolecular assembly, amphiphilic peptides, glutamic acid, lysine, MOLECULAR-DYNAMICS, NANOFIBERS, DENDRIMERS, ARTIFACTS, KINETICS, DEFECTS, CAPTURE, RELEASE, GROWTH, PH",

author = "Saikat Chakraborty and Berac, \{Christian M.\} and Moritz Urschbach and Daniel Spitzer and Markus Mezger and Pol Besenius and Thomas Speck",

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AU - Chakraborty, Saikat

AU - Berac, Christian M.

AU - Urschbach, Moritz

AU - Spitzer, Daniel

AU - Mezger, Markus

AU - Besenius, Pol

AU - Speck, Thomas

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KW - amphiphilic peptides

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KW - lysine

KW - MOLECULAR-DYNAMICS

KW - NANOFIBERS

KW - DENDRIMERS

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KW - KINETICS

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KW - RELEASE

KW - GROWTH

KW - PH

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DO - 10.1021/acsapm.1c01208

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ER -

Predicting the Supramolecular Assembly of Amphiphilic Peptides from Comprehensive Coarse-Grained Simulations

Funding

Austrian Fields of Science 2012

Keywords

Access to Document

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