Year |
Citation |
Score |
2020 |
Ranathunga DTS, Shamir A, Dai X, Nielsen SO. Molecular Dynamics Simulations of Water Condensation on Surfaces with Tunable Wettability. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 32498521 DOI: 10.1021/Acs.Langmuir.0C00915 |
0.403 |
|
2019 |
Kuo A, Miyazaki Y, Jang C, Miyajima T, Urata S, Nielsen SO, Okazaki S, Shinoda W. Large-scale molecular dynamics simulation of perfluorosulfonic acid membranes: Remapping coarse-grained to all-atomistic simulations Polymer. 181: 121766. DOI: 10.1016/J.Polymer.2019.121766 |
0.351 |
|
2018 |
Dai X, Sun N, Nielsen SO, Stogin BB, Wang J, Yang S, Wong TS. Hydrophilic directional slippery rough surfaces for water harvesting. Science Advances. 4: eaaq0919. PMID 29670942 DOI: 10.1126/Sciadv.Aaq0919 |
0.378 |
|
2018 |
Siriwardane DA, Kulikov O, Batchelor BL, Liu Z, Cue JM, Nielsen SO, Novak BM. UV- and Thermo-Controllable Azobenzene-Decorated Polycarbodiimide Molecular Springs Macromolecules. 51: 3722-3730. DOI: 10.1021/Acs.Macromol.8B00679 |
0.311 |
|
2017 |
Thompson CM, Occhialini G, McCandless GT, Alahakoon SB, Cameron V, Nielsen SO, Smaldone RA. Computational and Experimental Studies on the Effects of Monomer Planarity on Covalent Organic Framework Formation. Journal of the American Chemical Society. PMID 28696109 DOI: 10.1021/Jacs.7B05555 |
0.327 |
|
2014 |
Shoura MJ, Ranatunga RJ, Harris SA, Nielsen SO, Levene SD. Contribution of fluorophore dynamics and solvation to resonant energy transfer in protein-DNA complexes: a molecular-dynamics study. Biophysical Journal. 107: 700-10. PMID 25099809 DOI: 10.1016/J.Bpj.2014.06.023 |
0.724 |
|
2013 |
Kawamoto S, Nakamura T, Nielsen SO, Shinoda W. A guiding potential method for evaluating the bending rigidity of tensionless lipid membranes from molecular simulation. The Journal of Chemical Physics. 139: 034108. PMID 23883011 DOI: 10.1063/1.4811677 |
0.367 |
|
2012 |
Chiu CC, Shinoda W, Devane RH, Nielsen SO. Effects of spherical fullerene nanoparticles on a dipalmitoyl phosphatidylcholine lipid monolayer: A coarse grain molecular dynamics approach Soft Matter. 8: 9610-9616. DOI: 10.1039/C2Sm26357B |
0.387 |
|
2012 |
Chiu CC, Devane RH, Klein ML, Shinoda W, Moore PB, Nielsen SO. Effect of carboxylation on carbon nanotube aqueous dispersibility: A predictive coarse-grained molecular dynamics approach Journal of Physical Chemistry C. 116: 23102-23106. DOI: 10.1021/Jp307545M |
0.484 |
|
2011 |
Ranatunga RJKU, Nielsen SO. Application of a continuum mean field approximation to fullerenes in lipid bilayers Current Nanoscience. 7: 667-673. DOI: 10.2174/157341311797483808 |
0.418 |
|
2011 |
Shinoda W, Nakamura T, Nielsen SO. Free energy analysis of vesicle-to-bicelle transformation Soft Matter. 7: 9012-9020. DOI: 10.1039/C1Sm05404J |
0.345 |
|
2011 |
Ranatunga RJKU, Nguyen CT, Wilson BA, Shinoda W, Nielsen SO. Molecular dynamics study of nanoparticles and non-ionic surfactant at an oil-water interface Soft Matter. 7: 6942-6952. DOI: 10.1039/C1Sm05145H |
0.303 |
|
2010 |
Nielsen SO, Moore PB, Ensing B. Adaptive multiscale molecular dynamics of macromolecular fluids. Physical Review Letters. 105: 237802. PMID 21231504 DOI: 10.1103/Physrevlett.105.237802 |
0.387 |
|
2010 |
DeVane R, Jusufi A, Shinoda W, Chiu CC, Nielsen SO, Moore PB, Klein ML. Parametrization and application of a coarse grained force field for benzene/fullerene interactions with lipids. The Journal of Physical Chemistry. B. 114: 16364-72. PMID 21090655 DOI: 10.1021/Jp1070264 |
0.463 |
|
2010 |
Nielsen SO, Bulo RE, Moore PB, Ensing B. Recent progress in adaptive multiscale molecular dynamics simulations of soft matter. Physical Chemistry Chemical Physics : Pccp. 12: 12401-14. PMID 20734007 DOI: 10.1039/C004111D |
0.382 |
|
2010 |
Chiu CC, DeVane R, Klein ML, Shinoda W, Moore PB, Nielsen SO. Coarse-grained potential models for phenyl-based molecules: II. Application to fullerenes. The Journal of Physical Chemistry. B. 114: 6394-400. PMID 20426450 DOI: 10.1021/Jp9117375 |
0.474 |
|
2010 |
DeVane R, Klein ML, Chiu CC, Nielsen SO, Shinoda W, Moore PB. Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data. The Journal of Physical Chemistry. B. 114: 6386-93. PMID 20426449 DOI: 10.1021/Jp9117369 |
0.49 |
|
2010 |
Chiu CC, Maher MC, Dieckmann GR, Nielsen SO. Molecular dynamics study of a carbon nanotube binding reversible cyclic peptide. Acs Nano. 4: 2539-46. PMID 20423073 DOI: 10.1021/Nn901484W |
0.332 |
|
2010 |
Chiu CC, Ranatunga RJ, Torres Flores D, Pérez DV, Moore PB, Shinoda W, Nielsen SO. A mean field approach for computing solid-liquid surface tension for nanoscale interfaces. The Journal of Chemical Physics. 132: 054706. PMID 20136332 DOI: 10.1063/1.3308625 |
0.71 |
|
2010 |
Udayana Ranatunga RJK, Kalescky RJB, Chiu CC, Nielsen SO. Molecular dynamics simulations of surfactant functionalized nanoparticles in the vicinity of an oil/water interface Journal of Physical Chemistry C. 114: 12151-12157. DOI: 10.1021/Jp105355Y |
0.318 |
|
2009 |
Chiu CC, Moore PB, Shinoda W, Nielsen SO. Size-dependent hydrophobic to hydrophilic transition for nanoparticles: a molecular dynamics study. The Journal of Chemical Physics. 131: 244706. PMID 20059098 DOI: 10.1063/1.3276915 |
0.304 |
|
2009 |
Chiu CC, Dieckmann GR, Nielsen SO. Role of peptide--peptide interactions in stabilizing peptide-wrapped single-walled carbon nanotubes: a molecular dynamics study. Biopolymers. 92: 156-63. PMID 19226620 DOI: 10.1002/Bip.21159 |
0.302 |
|
2009 |
Vázquez UOM, Shinoda W, Moore PB, Chiu CC, Nielsen SO. Calculating the surface tension between a flat solid and a liquid: A theoretical and computer simulation study of three topologically different methods Journal of Mathematical Chemistry. 45: 161-174. DOI: 10.1007/S10910-008-9374-7 |
0.369 |
|
2008 |
Chiu CC, Dieckmann GR, Nielsen SO. Molecular dynamics study of a nanotube-binding amphiphilic helical peptide at different water/hydrophobic interfaces. The Journal of Physical Chemistry. B. 112: 16326-33. PMID 19049390 DOI: 10.1021/Jp805313P |
0.355 |
|
2007 |
Ensing B, Nielsen SO, Moore PB, Klein ML, Parrinello M. Energy Conservation in Adaptive Hybrid Atomistic/Coarse-Grain Molecular Dynamics. Journal of Chemical Theory and Computation. 3: 1100-5. PMID 26627429 DOI: 10.1021/Ct600323N |
0.48 |
|
2007 |
Ensing B, Nielsen SO, Moore PB, Klein ML, Parrinello M. Energy conservation in adaptive hybrid atomistic/coarse-grain molecular dynamics Journal of Chemical Theory and Computation. 3: 1100-1105. DOI: 10.1021/ct600323n |
0.386 |
|
2007 |
Nielsen SO, Ensing B, Moore PB, Klein ML. Coarse Grained-to-Atomistic Mapping Algorithm: A Tool for Multiscale Simulations Multiscale Simulation Methods For Nanomaterials. 73-88. DOI: 10.1002/9780470191675.ch5 |
0.329 |
|
2006 |
Lopez CF, Nielsen SO, Srinivas G, Degrado WF, Klein ML. Probing Membrane Insertion Activity of Antimicrobial Polymers via Coarse-grain Molecular Dynamics. Journal of Chemical Theory and Computation. 2: 649-655. PMID 18985168 DOI: 10.1021/Ct050298P |
0.424 |
|
2006 |
Khurana E, Nielsen SO, Klein ML. Gemini surfactants at the air/water interface: a fully atomistic molecular dynamics study. The Journal of Physical Chemistry. B. 110: 22136-42. PMID 17078649 DOI: 10.1021/Jp063343D |
0.471 |
|
2006 |
Khurana E, Nielsen SO, Ensing B, Klein ML. Self-assembling cyclic peptides: molecular dynamics studies of dimers in polar and nonpolar solvents. The Journal of Physical Chemistry. B. 110: 18965-72. PMID 16986891 DOI: 10.1021/Jp057471Y |
0.476 |
|
2006 |
Srinivas G, Nielsen SO, Moore PB, Klein ML. Molecular dynamics simulations of surfactant self-organization at a solid-liquid interface. Journal of the American Chemical Society. 128: 848-53. PMID 16417374 DOI: 10.1021/Ja054846K |
0.538 |
|
2006 |
Ortiz V, Nielsen SO, Klein ML, Discher DE. Computer simulation of aqueous block copolymer assemblies: Length scales and methods Journal of Polymer Science, Part B: Polymer Physics. 44: 1907-1918. DOI: 10.1002/Polb.20836 |
0.473 |
|
2005 |
Ortiz V, Nielsen SO, Discher DE, Klein ML, Lipowsky R, Shillcock J. Dissipative particle dynamics simulations of polymersomes. The Journal of Physical Chemistry. B. 109: 17708-14. PMID 16853266 DOI: 10.1021/Jp0512762 |
0.502 |
|
2005 |
Nielsen SO, Srinivas G, Klein ML. Incorporating a hydrophobic solid into a coarse grain liquid framework: graphite in an aqueous amphiphilic environment. The Journal of Chemical Physics. 123: 124907. PMID 16392527 DOI: 10.1063/1.2009734 |
0.492 |
|
2005 |
Nielsen SO, Srinivas G, Lopez CF, Klein ML. Modeling surfactant adsorption on hydrophobic surfaces. Physical Review Letters. 94: 228301. PMID 16090439 DOI: 10.1103/PhysRevLett.94.228301 |
0.414 |
|
2005 |
Ortiz V, Nielsen SO, Klein ML, Discher DE. Unfolding a linker between helical repeats. Journal of Molecular Biology. 349: 638-47. PMID 15896349 DOI: 10.1016/J.Jmb.2005.03.086 |
0.441 |
|
2005 |
Nielsen SO, Ensing B, Ortiz V, Moore PB, Klein ML. Lipid bilayer perturbations around a transmembrane nanotube: a coarse grain molecular dynamics study. Biophysical Journal. 88: 3822-8. PMID 15778436 DOI: 10.1529/Biophysj.104.057703 |
0.411 |
|
2005 |
Lopez CF, Nielsen SO, Ensing B, Moore PB, Klein ML. Structure and dynamics of model pore insertion into a membrane. Biophysical Journal. 88: 3083-94. PMID 15722425 DOI: 10.1529/Biophysj.104.053769 |
0.374 |
|
2004 |
Nielsen SO, Lopez CF, Ivanov I, Moore PB, Shelley JC, Klein ML. Transmembrane peptide-induced lipid sorting and mechanism of Lalpha-to-inverted phase transition using coarse-grain molecular dynamics. Biophysical Journal. 87: 2107-15. PMID 15454415 DOI: 10.1529/Biophysj.104.040311 |
0.59 |
|
2004 |
Lopez CF, Nielsen SO, Moore PB, Klein ML. Understanding nature's design for a nanosyringe. Proceedings of the National Academy of Sciences of the United States of America. 101: 4431-4. PMID 15070735 DOI: 10.1073/Pnas.0400352101 |
0.394 |
|
2004 |
Nielsen SO, Lopez CF, Srinivas G, Klein ML. Coarse grain models and the computer simulation of soft materials Journal of Physics Condensed Matter. 16. DOI: 10.1088/0953-8984/16/15/R03 |
0.372 |
|
2004 |
Srinivas G, Shelley JC, Nielsen SO, Discher DE, Klein ML. Simulation of diblock copolymer self-assembly, using a coarse-grain model Journal of Physical Chemistry B. 108: 8153-8160. DOI: 10.1021/Jp037842F |
0.422 |
|
2004 |
Lopez CF, Nielsen SO, Klein ML, Moore PB. Hydrogen Bonding Structure and Dynamics of Water at the Dimyristoylphosphatidylcholine Lipid Bilayer Surface from a Molecular Dynamics Simulation† The Journal of Physical Chemistry B. 108: 6603-6610. DOI: 10.1021/Jp037618Q |
0.357 |
|
2003 |
Nielsen SO, Lopez CF, Srinivas G, Klein ML. A coarse grain model for n-alkanes parameterized from surface tension data Journal of Chemical Physics. 119: 7043-7049. DOI: 10.1063/1.1607955 |
0.36 |
|
2003 |
Nielsen SO, Lopez CF, Moore PB, Shelley JC, Klein ML. Molecular Dynamics Investigations of Lipid Langmuir Monolayers Using a Coarse-Grain Model The Journal of Physical Chemistry B. 107: 13911-13917. DOI: 10.1021/Jp035262C |
0.44 |
|
2002 |
Lopez CF, Nielsen SO, Moore PB, Shelley JC, Klein ML. Self-assembly of a phospholipid Langmuir monolayer using coarse-grained molecular dynamics simulations Journal of Physics Condensed Matter. 14: 9431-9444. DOI: 10.1088/0953-8984/14/40/327 |
0.401 |
|
2001 |
Nielsen S, Kapral R, Ciccotti G. Statistical mechanics of quantum-classical systems Journal of Chemical Physics. 115: 5805-5815. DOI: 10.1063/1.1400129 |
0.417 |
|
2000 |
Nielsen S, Kapral R, Ciccotti G. Mixed quantum-classical surface hopping dynamics Journal of Chemical Physics. 112: 6543-6553. DOI: 10.1063/1.481225 |
0.448 |
|
2000 |
Nielsen S, Kapral R, Ciccotti G. Non-adiabatic dynamics in mixed quantum-classical systems Journal of Statistical Physics. 101: 225-242. DOI: 10.1023/A:1026458004345 |
0.438 |
|
1998 |
Nielsen S, Kapral R. Coloring a Lorentz gas The Journal of Chemical Physics. 109: 6460-6468. DOI: 10.1063/1.477291 |
0.447 |
|
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