Publications by authors named "Manolis Doxastakis"

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Elastic, viscoelastic, dynamic, topological and structural properties of crosslinked SBR through atomistic molecular dynamics simulations.
Spyros V Kallivokas, Anthony Chazirakis, Rohit Ghanta, Anastassia Rissanou, Patrycja Polińska, Manolis Doxastakis

Soft Matter· July 2025

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Vulcanization Accelerators and Silica Coupling Agents in Polyisoprene Melts.
Nikolaos Patsalidis, George J Papakonstantopoulos, Jan Domurath, Patrycja Polińska, Craig Burkhart, Manolis Doxastakis

J Phys Chem B· January 2025

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Impact of surface hydrophilicity on the ordering and transport properties of bicontinuous microemulsions.
Luke Heroux, Damilola Ojedeji, Brian Barth, Adam Imel, Manolis Doxastakis

Soft Matter· December 2024

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Multiscale Modeling of Vinyl-Addition Polynorbornenes: The Effect of Stereochemistry.
Nobahar Shahidi, Jeffrey A Laub, Konstantinos D Vogiatzis, Manolis Doxastakis

Polymers (Basel)· August 2024

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The effect of chemical constitution on polyisoprene dynamics.
Rohit Ghanta, Craig Burkhart, Patrycja Polińska, Vagelis Harmandaris, Manolis Doxastakis

J Chem Phys· July 2023

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Deep convolutional neural networks for generating atomistic configurations of multi-component macromolecules from coarse-grained models.
Eleftherios Christofi, Antonis Chazirakis, Charalambos Chrysostomou, Mihalis A Nicolaou, Wei Li, Manolis Doxastakis

J Chem Phys· November 2022

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Accelerated Diffusion Following Deprotection in Chemically Amplified Resists.
Christopher M Bottoms, Gila E Stein, Manolis Doxastakis

J Phys Chem B· September 2022

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Coupling between Polymer Conformations and Dynamics Near Amorphous Silica Surfaces: A Direct Insight from Atomistic Simulations.
Petra Bačová, Wei Li, Alireza F Behbahani, Craig Burkhart, Patrycja Polińska, Manolis Doxastakis

Nanomaterials (Basel)· August 2021

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Interfacial Dynamics in Supported Ultrathin Polymer Films-From the Solid to the Free Interface.
Emmanuel Urandu Mapesa, Nobahar Shahidi, Friedrich Kremer, Manolis Doxastakis, Joshua Sangoro

J Phys Chem Lett· January 2021

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Backmapping coarse-grained macromolecules: An efficient and versatile machine learning approach.
Wei Li, Craig Burkhart, Patrycja Polińska, Vagelis Harmandaris, Manolis Doxastakis

J Chem Phys· July 2020

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Coarse-graining of polyisoprene melts using inverse Monte Carlo and local density potentials.
Nobahar Shahidi, Antonis Chazirakis, Vagelis Harmandaris, Manolis Doxastakis

J Chem Phys· March 2020

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Quantitative Three-Dimensional Characterization of Block Copolymer Directed Self-Assembly on Combined Chemical and Topographical Prepatterned Templates.
Tamar Segal-Peretz, Jiaxing Ren, Shisheng Xiong, Gurdaman Khaira, Alec Bowen, Manolis Doxastakis

ACS Nano· February 2017

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Two-dimensional melting of colloids with long-range attractive interactions.
Di Du, Manolis Doxastakis, Elaa Hilou, Sibani Lisa Biswal

Soft Matter· February 2017

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Characterizing the Three-Dimensional Structure of Block Copolymers via Sequential Infiltration Synthesis and Scanning Transmission Electron Tomography.
Tamar Segal-Peretz, Jonathan Winterstein, Manolis Doxastakis, Abelardo Ramírez-Hernández, Mahua Biswas

ACS Nano· May 2015

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Mechanism of activation of protein kinase JAK2 by the growth hormone receptor.
Andrew J Brooks, Wei Dai, Megan L O'Mara, Daniel Abankwa, Yash Chhabra, Manolis Doxastakis

Science· May 2014

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Multiscale modeling of polyisoprene on graphite.
Yogendra Narayan Pandey, Alexander Brayton, Craig Burkhart, George J Papakonstantopoulos, Manolis Doxastakis

J Chem Phys· February 2014

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Molecular dynamics of polyisoprene/polystyrene oligomer blends: the role of self-concentration and fluctuations on blend dynamics.
Vagelis Harmandaris, Manolis Doxastakis

J Chem Phys· July 2013

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Directed Self-Assembly of Lamellar Copolymers: Effects of Interfacial Interactions on Domain Shape.
Ginusha M Perera, Chengqing Wang, Manolis Doxastakis, R Joseph Kline, Wen-Li Wu

ACS Macro Lett· November 2012

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Detailed atomistic Monte Carlo simulations of a polymer melt on a solid surface and around a nanoparticle.
Yogendra Narayan Pandey, Manolis Doxastakis

J Chem Phys· March 2012

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GxxxG motifs, phenylalanine, and cholesterol guide the self-association of transmembrane domains of ErbB2 receptors.
Anupam Prakash, Lorant Janosi, Manolis Doxastakis

Biophys J· October 2011

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Self-association of models of transmembrane domains of ErbB receptors in a lipid bilayer.
Anupam Prakash, Lorant Janosi, Manolis Doxastakis

Biophys J· December 2010

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Lipid-modulated sequence-specific association of glycophorin A in membranes.
Lorant Janosi, Anupam Prakash, Manolis Doxastakis

Biophys J· July 2010

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Accelerating flat-histogram methods for potential of mean force calculations.
Lorant Janosi, Manolis Doxastakis

J Chem Phys· August 2009

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Calculation of local mechanical properties of filled polymers.
George J Papakonstantopoulos, Manolis Doxastakis, Paul F Nealey, Jean-Louis Barrat, Juan J de Pablo

Phys Rev E Stat Nonlin Soft Matter Phys· March 2007

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Modulating membrane properties: the effect of trehalose and cholesterol on a phospholipid bilayer.
Manolis Doxastakis, Amadeu K Sum, Juan J de Pablo

J Phys Chem B· December 2005

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