Browse by Author or creator

2024

Hudek, Magdalena and Johnston, Karen and Kubiak-Ossowska, Karina and Ferro, Valerie A. and Mulheran, Paul A. (2024) Molecular dynamics study of chitosan adsorption at a silica surface. The Journal of Physical Chemistry C, 128 (50). ISSN 1932-7455

Al Qaraghuli, Mohammed M. and Kubiak-Ossowska, Karina and Ferro, Valerie A. and Mulheran, Paul A. (2024) Exploiting the Fc base of IgG antibodies to create functional nanoparticle conjugates. Scientific Reports, 14 (1). 14832. ISSN 2045-2322

Doveiko, Daniel and Kubiak-Ossowska, Karina and Chen, Yu (2024) Estimating binding energies of π-stacked aromatic dimers using force field-driven molecular dynamics. International Journal of Molecular Sciences, 25 (11). 5783. ISSN 1422-0067

Doveiko, Daniel and Kubiak-Ossowska, Karina and Chen, Yu; (2024) Impact of the crystal structure of silica nanoparticles on Rhodamine 6G adsorption. In: 67th International Open Readings Conference for students of Physics and Natural Sciences. Annual Abstract Book 2024. Vilnius University Press, LTU, p. 91.

Doveiko, Daniel and Martin, Alan R.G. and Vyshemirsky, Vladislav and Stebbing, Simon and Kubiak-Ossowska, Karina and Rolinski, Olaf and Birch, David J.S. and Chen, Yu (2024) Nanoparticle metrology of silicates using time-resolved multiplexed dye fluorescence anisotropy. In: PCCP 25th Anniversary Symposium, 2024-05-01 - 2024-05-02, Vrije Universiteit Amsterdam.

Doveiko, Daniel and Martin, Alan R.G. and Vyshemirsky, Vladislav and Stebbing, Simon and Kubiak-Ossowska, Karina and Rolinski, Olaf and Birch, David J.S. and Chen, Yu (2024) Nanoparticle metrology of silicates using time-resolved multiplexed dye fluorescence anisotropy, small angle x-ray scattering and molecular dynamics simulations. Materials, 17 (7). 1686. ISSN 1996-1944

Doveiko, Daniel and Kubiak-Ossowska, Karina and Chen, Yu (2024) Impact of crystal structure of silica nanoparticles on Rhodamine 6G adsorption : a molecular dynamics study. ACS Omega, 9 (3). 4123–4136. ISSN 2470-1343

2023

Hudek, Magdalena and Kubiak-Ossowska, Karina and Johnston, Karen and Ferro, Valerie A. and Mulheran, Paul A. (2023) Chitin and chitosan binding to the α-chitin crystal; a molecular dynamics study. ACS Omega, 8 (3). pp. 3470-3477. ISSN 2470-1343

2022

Farouq, Mohammed A. H. and Kubiak-Ossowska, Karina and Al Qaraghuli, Mohammed M. and Ferro, Valerie A. and Mulheran, Paul A. (2022) Functionalisation of inorganic material surfaces with Staphylococcus protein A : a molecular dynamics study. International Journal of Molecular Sciences, 23 (9). 4832. ISSN 1422-0067

2021

Pujol-Navarro, Neret and Al Qaraghuli, Mohammed M and Kubiak-Ossowska, Karina and Alsaadi, Manal M and Horne, Gillian A and Soutar, Richard L and Paspali, Elpiniki and Ferro, Valerie A and Williams, Mark TS and Mulheran, Paul A (2021) Multiple myeloma : therapeutic delivery of antibodies and aptamers. Therapeutic Delivery, 12 (10). pp. 705-722. ISSN 2041-5990

Farouq, Mohammed A.H. and Al Qaraghuli, Mohammed M. and Kubiak-Ossowska, Karina and Ferro, Valerie A. and Mulheran, Paul A. (2021) Biomolecular interactions with nanoparticles : applications for coronavirus disease 2019. Current Opinion in Colloid and Interface Science, 54. 101461. ISSN 1359-0294

Pujol-Navarro, Neret and Kubiak-Ossowska, Karina and Ferro, Valerie and Mulheran, Paul (2021) Simulating peptide monolayer formation : GnRH-I on silica. International Journal of Molecular Sciences, 22 (11). 5523. ISSN 1422-0067

Simões, Bárbara and Guedens, Wanda J. and Keene, Charlie and Kubiak-Ossowska, Karina and Mulheran, Paul and Kotowska, Anna M. and Scurr, David J. and Alexander, Morgan R. and Broisat, Alexis and Johnson, Steven and Muyldermans, Serge and Devoogdt, Nick and Adriaensens, Peter and Mendes, Paula M. (2021) Direct immobilization of engineered nanobodies on gold sensors. ACS Applied Materials and Interfaces, 13 (15). pp. 17353-17360. ISSN 1944-8252

Al Qaraghuli, Mohammed M. and Kubiak-Ossowska, Karina and Ferro, Valerie A. and Mulheran, Paul A. (2021) Structural analysis of anti-hapten antibodies to identify long-range structural movements induced by hapten binding. Frontiers in Molecular Biosciences, 8. 633526. ISSN 2296-889X

2020

Al Qaraghuli, Mohammed M. and Kubiak-Ossowska, Karina and Ferro, Valerie A. and Mulheran, Paul A. (2020) Antibody-protein binding and conformational changes : identifying allosteric signalling pathways to engineer a better effector response. Scientific Reports, 10. p. 13696. 13696. ISSN 2045-2322

2019

Kubiak-Ossowska, Karina and Jachimska, Barbara and Al Qaraghuli, Mohammed and Mulheran, Paul A. (2019) Protein interactions with negatively charged inorganic surfaces. Current Opinion in Colloid and Interface Science, 41. pp. 104-117. ISSN 1359-0294

2018

Mancini, Onorio and Rolinski, Olaf J. and Kubiak-Ossowska, Karina and Mulheran, Paul A. (2018) Tyrosine rotamer states in beta amyloid : signatures of aggregation and fibrillation. ACS Omega, 3 (11). pp. 16046-16056. ISSN 2470-1343

Connell, David J. and Gebril, Ayman and Khan, Mohammad A. H. and Patwardhan, Siddharth V. and Kubiak-Ossowska, Karina and Ferro, Valerie A. and Mulheran, Paul A. (2018) Rationalising drug delivery using nanoparticles : a combined simulation and immunology study of GnRH adsorbed to silica nanoparticles. Scientific Reports, 8. 17115. ISSN 2045-2322

Liamas, Evangelos and Kubiak-Ossowska, Karina and Black, Richard A. and Thomas, Owen R.T. and Zhang, Zhenyu J. and Mulheran, Paul A. (2018) Adsorption of fibronectin fragment on surfaces using fully atomistic molecular dynamics simulations. International Journal of Molecular Sciences, 19 (11). 3321. ISSN 1422-0067

Tokarczyk, Karolina and Kubiak-Ossowska, Karina and Jachimska, Barbara and Mulheran, Paul A. (2018) The energy landscape of negatively charged BSA adsorbed on a negatively charged silica surface. Journal of Physical Chemistry B, 122 (14). pp. 3744-3753. ISSN 1520-6106

Mancini, Onorio and Wellbrock, Thorben and Rolinski, Olaf J. and Kubiak-Ossowska, Karina and Mulheran, Paul A. (2018) Probing beta amyloid aggregation using fluorescence anisotropy : experiments and simulation. Physical Chemistry Chemical Physics, 20 (6). pp. 4216-4225. ISSN 1463-9084

2017

Kubiak-Ossowska, Karina and Tokarczyk, Karolina and Jachimska, Barbara and Mulheran, Paul (2017) Bovine serum albumin adsorption at a silica surface explored by simulation and experiment. Journal of Physical Chemistry B, 121 (16). 3975–3986. ISSN 1520-6106

2016

Kubiak-Ossowska, Karina and Jachimska, Barbara and Mulheran, Paul A. (2016) How negatively charged proteins adsorb to negatively charged surfaces - a molecular dynamics study of BSA adsorption on silica. Journal of Physical Chemistry B, 120 (40). pp. 10463-10468. ISSN 1520-6106

Mulheran, Paul A. and Connell, David J. and Kubiak-Ossowska, Karina (2016) Steering protein adsorption at charged surfaces : electric fields and ionic screening. RSC Advances, 6 (77). pp. 73709-73716. ISSN 2046-2069

2015

Russell, B. A. and Kubiak-Ossowska, K. and Mulheran, P. A. and Birch, D. J. S. and Chen, Y. (2015) Locating the nucleation sites for protein encapsulated gold nanoclusters : a molecular dynamics and fluorescence study. Physical Chemistry Chemical Physics, 17 (34). pp. 21935-21941. ISSN 1463-9084

2014

Kubiak-Ossowska, Karina and Mulheran, Paul A. and Nowak, Wieslaw (2014) Fibronectin module FNIII9 adsorption at contrasting solid model surfaces studied by atomistic molecular dynamics. Journal of Physical Chemistry B, 118 (33). pp. 9900-9908. ISSN 1520-6106

2013

Kubiak-Ossowska, Karina and Burley, Glenn and Patwardhan, Siddharth V and Mulheran, Paul A (2013) Spontaneous membrane-translocating peptide adsorption at silica surfaces : a molecular dynamics study. Journal of Physical Chemistry B, 117 (47). 14666–14675.

2012

Kubiak-Ossowska, Karina and Mulheran, Paul A (2012) Protein diffusion and long-term adsorption states at charged solid surfaces. Langmuir, 28 (44). 15577–15585.

2011

Kubiak-Ossowska, Karina and Mulheran, Paul A. (2011) Multiprotein interactions during surface adsorption : a molecular dynamics study of lysozyme aggregation at a charged solid surface. Journal of Physical Chemistry B, 115 (28). pp. 8891-8900. ISSN 1520-6106

2010

Kubiak-Ossowska, Karina and Mulheran, Paul A. (2010) Mechanism of hen egg white lysozyme adsorption on a charged solid surface. Langmuir, 26 (20). pp. 15954-15965. ISSN 0743-7463

Kubiak-Ossowska, Karina and Mulheran, Paul A. (2010) What governs protein adsorption and immobilization at a charged solid surface? Langmuir, 26 (11). pp. 7690-7694. ISSN 0743-7463

2009

Kubiak, K. and Mulheran, P.A. (2009) Molecular dynamics simulations of hen egg white lysozyme adsorption at a charged solid surface. Journal of Physical Chemistry B, 113 (36). pp. 12189-12200.

Mulheran, P.A. and Kubiak, K. (2009) Protein adsorption mechanisms on solid surfaces: lysozyme-on-mica. Molecular Simulation, 35 (7). pp. 561-566. ISSN 1029-0435