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Manolis Doxastakis - Publications

Affiliations: 
Chemical and Biomolecular Engineering University of Houston, Houston, TX, United States 
 Chemical and Biomolecular Engineering University of Tennessee, Knoxville, Knoxville, TN, United States 
Website:
http://cbe.utk.edu/people/manolis-doxastakis/
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49 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Ghanta R, Burkhart C, Polińska P, Harmandaris V, Doxastakis M. The effect of chemical constitution on polyisoprene dynamics. The Journal of Chemical Physics. 159. PMID 37486059 DOI: 10.1063/5.0155612  0.657
2022 Christofi E, Chazirakis A, Chrysostomou C, Nicolaou MA, Li W, Doxastakis M, Harmandaris VA. Deep convolutional neural networks for generating atomistic configurations of multi-component macromolecules from coarse-grained models. The Journal of Chemical Physics. 157: 184903. PMID 36379782 DOI: 10.1063/5.0110322  0.648
2021 Bačová P, Li W, Behbahani AF, Burkhart C, Polińska P, Doxastakis M, Harmandaris V. Coupling between Polymer Conformations and Dynamics Near Amorphous Silica Surfaces: A Direct Insight from Atomistic Simulations. Nanomaterials (Basel, Switzerland). 11. PMID 34443909 DOI: 10.3390/nano11082075  0.699
2021 Li W, Bačová P, Behbahani AF, Burkhart C, Polińska P, Harmandaris V, Doxastakis M. Tailoring Interfacial Properties in Polymer–Silica Nanocomposites via Surface Modification: An Atomistic Simulation Study Acs Applied Polymer Materials. 3: 2576-2587. DOI: 10.1021/ACSAPM.1C00197  0.621
2021 Behbahani AF, Schneider L, Rissanou A, Chazirakis A, Bačová P, Jana PK, Li W, Doxastakis M, Polińska P, Burkhart C, Müller M, Harmandaris VA. Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations Macromolecules. 54: 2740-2762. DOI: 10.1021/acs.macromol.0c02583  0.685
2020 Mapesa EU, Shahidi N, Kremer F, Doxastakis M, Sangoro J. Interfacial Dynamics in Supported Ultrathin Polymer Films-From the Solid to the Free Interface. The Journal of Physical Chemistry Letters. 117-125. PMID 33307705 DOI: 10.1021/acs.jpclett.0c03211  0.389
2020 Li W, Burkhart C, Polińska P, Harmandaris V, Doxastakis M. Backmapping coarse-grained macromolecules: An efficient and versatile machine learning approach. The Journal of Chemical Physics. 153: 041101. PMID 32752654 DOI: 10.1063/5.0012320  0.63
2020 Shahidi N, Chazirakis A, Harmandaris V, Doxastakis M. Coarse-graining of polyisoprene melts using inverse Monte Carlo and local density potentials. The Journal of Chemical Physics. 152: 124902. PMID 32241142 DOI: 10.1063/1.5143245  0.693
2020 Behbahani AF, Rissanou A, Kritikos G, Doxastakis M, Burkhart C, Polińska P, Harmandaris VA. Conformations and Dynamics of Polymer Chains in Cisand Trans Polybutadiene/Silica Nanocomposites through Atomistic Simulations:From the Unentangled to the Entangled Regime Macromolecules. 53: 6173-6189. DOI: 10.1021/Acs.Macromol.0C01030  0.694
2017 Du D, Doxastakis M, Hilou E, Biswal SL. Two-dimensional melting of colloids with long-range attractive interactions. Soft Matter. PMID 28098323 DOI: 10.1039/C6Sm02131J  0.358
2017 Rissanou AN, Papananou H, Petrakis VS, Doxastakis M, Andrikopoulos KS, Voyiatzis GA, Chrissopoulou K, Harmandaris V, Anastasiadis SH. Structural and Conformational Properties of Poly(ethylene oxide)/Silica Nanocomposites: Effect of Confinement Macromolecules. 50: 6273-6284. DOI: 10.1021/Acs.Macromol.7B00811  0.726
2017 Khaira G, Doxastakis M, Bowen A, Ren J, Suh HS, Segal-Peretz T, Chen X, Zhou C, Hannon AF, Ferrier NJ, Vishwanath V, Sunday DF, Gronheid R, Kline RJ, de Pablo JJ, et al. Derivation of Multiple Covarying Material and Process Parameters Using Physics-Based Modeling of X-ray Data Macromolecules. 50: 7783-7793. DOI: 10.1021/Acs.Macromol.7B00691  0.354
2016 Segal-Peretz T, Ren J, Xiong S, Khaira G, Bowen A, Ocola LE, Divan R, Doxastakis M, Ferrier NJ, de Pablo JJ, Nealey PF. Quantitative Three Dimensional Characterization of Block Copolymer Directed Self -Assembly on Combined Chemical and Topographical Pre-Patterned Templates. Acs Nano. PMID 28005329 DOI: 10.1021/Acsnano.6B05657  0.542
2016 Suh HS, Chen X, Rincon-Delgadillo PA, Jiang Z, Strzalka J, Wang J, Chen W, Gronheid R, de Pablo JJ, Ferrier N, Doxastakis M, Nealey PF. Characterization of the shape and line-edge roughness of polymer gratings with grazing incidence small-angle X-ray scattering and atomic force microscopy Journal of Applied Crystallography. 49: 823-834. DOI: 10.1107/S1600576716004453  0.346
2015 Segal-Peretz T, Winterstein J, Doxastakis M, Ramírez-Hernández A, Biswas M, Ren J, Suh HS, Darling SB, Liddle JA, Elam JW, de Pablo JJ, Zaluzec NJ, Nealey PF. Characterizing the Three-Dimensional Structure of Block Copolymers via Sequential Infiltration Synthesis and Scanning Transmission Electron Tomography. Acs Nano. 9: 5333-47. PMID 25919347 DOI: 10.1021/Acsnano.5B01013  0.496
2015 Doxastakis M, Suh HS, Chen X, Rincon Delgadillo PA, Wan L, Williamson L, Jiang Z, Strzalka J, Wang J, Chen W, Ferrier N, Ramirez-Hernandez A, De Pablo JJ, Gronheid R, Nealey P. Grazing-incidence small angle x-ray scattering studies of nanoscale polymer gratings Proceedings of Spie - the International Society For Optical Engineering. 9424. DOI: 10.1117/12.2085824  0.512
2014 Pandey YN, Brayton A, Burkhart C, Papakonstantopoulos GJ, Doxastakis M. Multiscale modeling of polyisoprene on graphite. The Journal of Chemical Physics. 140: 054908. PMID 24511980 DOI: 10.1063/1.4863918  0.761
2014 Patil AA, Doxastakis M, Stein GE. Modeling acid transport in chemically amplified resist films Proceedings of Spie - the International Society For Optical Engineering. 9051. DOI: 10.1117/12.2046473  0.412
2014 Patil AA, Pandey YN, Doxastakis M, Stein GE. Characterizing acid diffusion lengths in chemically amplified resists from measurements of deprotection kinetics Journal of Micro/ Nanolithography, Mems, and Moems. 13. DOI: 10.1117/1.Jmm.13.4.043017  0.774
2013 Harmandaris V, Doxastakis M. Molecular dynamics of polyisoprene/polystyrene oligomer blends: the role of self-concentration and fluctuations on blend dynamics. The Journal of Chemical Physics. 139: 034904. PMID 23883054 DOI: 10.1063/1.4813019  0.675
2013 Pandey YN, Papakonstantopoulos GJ, Doxastakis M. Polymer/nanoparticle interactions: Bridging the gap Macromolecules. 46: 5097-5106. DOI: 10.1021/Ma400444W  0.762
2012 Pandey YN, Doxastakis M. Detailed atomistic Monte Carlo simulations of a polymer melt on a solid surface and around a nanoparticle. The Journal of Chemical Physics. 136: 094901. PMID 22401467 DOI: 10.1063/1.3689316  0.815
2012 Perera GM, Wang C, Doxastakis M, Kline RJ, Wu WL, Bosse AW, Stein GE. Directed self-assembly of lamellar copolymers: Effects of interfacial interactions on domain shape Acs Macro Letters. 1: 1244-1248. DOI: 10.1021/Mz300331K  0.369
2012 Perera GM, Pandey YN, Patil AA, Stein GE, Doxastakis M. Reaction kinetics in acid-catalyzed deprotection of polymer films Journal of Physical Chemistry C. 116: 24706-24716. DOI: 10.1021/Jp308997G  0.774
2012 Doxastakis M, Prakash A, Janosi L. Self-Association of Transmembrane Domains of ErbB2 Receptors in Cholesterol-Containing Membranes Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.2579  0.623
2011 Prakash A, Janosi L, Doxastakis M. GxxxG motifs, phenylalanine, and cholesterol guide the self-association of transmembrane domains of ErbB2 receptors. Biophysical Journal. 101: 1949-58. PMID 22004749 DOI: 10.1016/J.Bpj.2011.09.017  0.628
2011 Doxastakis M, Janosi L, Prakash A. Molecular Simulations of Sequence-Specific Association of Transmembrane Proteins in Lipid Bilayers Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.3534  0.646
2010 Prakash A, Janosi L, Doxastakis M. Self-association of models of transmembrane domains of ErbB receptors in a lipid bilayer. Biophysical Journal. 99: 3657-65. PMID 21112290 DOI: 10.1016/J.Bpj.2010.10.023  0.643
2010 Janosi L, Prakash A, Doxastakis M. Lipid-modulated sequence-specific association of glycophorin A in membranes. Biophysical Journal. 99: 284-92. PMID 20655857 DOI: 10.1016/J.Bpj.2010.04.005  0.648
2010 Doxastakis M. Molecular modeling of polymers and biomolecules Access Science. DOI: 10.1036/1097-8542.Yb100103  0.475
2009 Janosi L, Doxastakis M. Accelerating flat-histogram methods for potential of mean force calculations. The Journal of Chemical Physics. 131: 054105. PMID 19673549 DOI: 10.1063/1.3183165  0.362
2007 Papakonstantopoulos GJ, Doxastakis M, Nealey PF, Barrat JL, de Pablo JJ. Calculation of local mechanical properties of filled polymers. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 75: 031803. PMID 17500718 DOI: 10.1103/Physreve.75.031803  0.797
2007 Doxastakis M, Sakai VG, Ohtake S, Maranas JK, de Pablo JJ. A molecular view of melting in anhydrous phospholipidic membranes. Biophysical Journal. 92: 147-61. PMID 17159004 DOI: 10.1529/Biophysj.106.089631  0.685
2005 Doxastakis M, Sum AK, de Pablo JJ. Modulating membrane properties: the effect of trehalose and cholesterol on a phospholipid bilayer. The Journal of Physical Chemistry. B. 109: 24173-81. PMID 16375409 DOI: 10.1021/Jp054843U  0.655
2005 Papakonstantopoulos GJ, Yoshimoto K, Doxastakis M, Nealey PF, de Pablo JJ. Local mechanical properties of polymeric nanocomposites. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 72: 031801. PMID 16241467 DOI: 10.1103/Physreve.72.031801  0.795
2005 Doxastakis M, Chen YL, de Pablo JJ. Potential of mean force between two nanometer-scale particles in a polymer solution. The Journal of Chemical Physics. 123: 34901. PMID 16080757 DOI: 10.1063/1.1953575  0.686
2004 Doxastakis M, Chen YL, Guzmán O, de Pablo JJ. Polymer-particle mixtures: depletion and packing effects. The Journal of Chemical Physics. 120: 9335-42. PMID 15267871 DOI: 10.1063/1.1704634  0.698
2003 Doxastakis M, Theodorou DN, Fytas G, Kremer F, Faller R, Müller-Plathe F, Hadjichristidis N. Chain and local dynamics of polyisoprene as probed by experiments and computer simulations Journal of Chemical Physics. 119: 6883-6894. DOI: 10.1063/1.1603720  0.598
2003 Gestoso P, Nicol E, Doxastakis M, Theodorou DN. Atomistic Monte Carlo simulation of polybutadiene isomers: Cis-1,4-polybutadiene and 1,2-polybutadiene Macromolecules. 36: 6925-6938. DOI: 10.1021/Ma034033L  0.628
2002 Uhlherr A, Doxastakis M, Mavrantzas VG, Theodorou DN, Leak SJ, Adam NE, Nyberg PE. Atomic structure of a high polymer melt Europhysics Letters. 57: 506-511. DOI: 10.1209/Epl/I2002-00490-0  0.627
2002 Doxastakis M, Chrissopoulou K, Aouadi A, Frick B, Lodge TP, Fytas G. Segmental dynamics of disordered styrene–isoprene tetrablock copolymers The Journal of Chemical Physics. 116: 4707-4714. DOI: 10.1063/1.1452109  0.363
2002 Uhlherr A, Leak SJ, Adam NE, Nyberg PE, Doxastakis M, Mavrantzas VG, Theodorou DN. Large scale atomistic polymer simulations using Monte Carlo methods for parallel vector processors Computer Physics Communications. 144: 1-22. DOI: 10.1016/S0010-4655(01)00464-7  0.626
2001 Andreopoulos AG, Hatzi E, Doxastakis M. Controlled release of salicylic acid from poly(D,L-Lactide). Journal of Materials Science: Materials in Medicine. 12: 233. PMID 15348307 DOI: 10.1023/A:1008911131657  0.33
2001 Doxastakis M, Mavrantzas VG, Theodorou DN. Atomistic Monte Carlo simulation of cis-1,4 polyisoprene melts. II. Parallel tempering end-bridging Monte Carlo simulations Journal of Chemical Physics. 115: 11352-11361. DOI: 10.1063/1.1416491  0.569
2001 Uhlherr A, Mavrantzas VG, Doxastakis M, Theodorou DN. Directed bridging methods for fast atomistic Monte Carlo simulations of bulk polymers Macromolecules. 34: 8554-8568. DOI: 10.1021/Ma0102060  0.664
2001 Faller R, Müller-Plathe F, Doxastakis M, Theodorou D. Local Structure and Dynamics oftrans-Polyisoprene Oligomers Macromolecules. 34: 1436-1448. DOI: 10.1021/Ma0016782  0.632
2000 Doxastakis M, Kitsiou M, Fytas G, Theodorou DN, Hadjichristidis N, Meier G, Frick B. Component segmental mobilities in an athermal polymer blend: Quasielastic incoherent neutron scattering versus simulation Journal of Chemical Physics. 112: 8687-8694. DOI: 10.1063/1.481471  0.608
2000 Doxastakis M, Kitsiou M, Fytas G, Theodorou DN, Hadjichristidis N, Meier G, Frick B. Component segmental mobilities in an athermal polymer blend: Quasielastic incoherent neutron scattering versus simulation The Journal of Chemical Physics. 112: 8687-8694. DOI: 10.1063/1.481471  0.574
1999 Andreopoulos AG, Hatzi E, Doxastakis M. Synthesis and properties of poly(lactic acid). Journal of Materials Science: Materials in Medicine. 10: 29-33. PMID 15347991 DOI: 10.1023/A:1008887910068  0.324
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