Search results
- 1.0583039 - ÚOCHB 2025 RIV US eng J - Journal Article
Kiirikki, A. M. - Antila, H. S. - Bort, L. S. - Buslaev, P. - Favela-Rosales, F. - Ferreira, T. M. - Fuchs, P. F. J. - Garcia-Fandino, R. - Gushchin, I. - Kav, B. - Kučerka, N. - Kula, Patrik - Kurki, M. - Kuzmin, A. - Lalitha, A. - Lolicato, F. - Madsen, J. J. - Miettinen, M. S. - Mingham, C. - Monticelli, L. - Nencini, R. - Nesterenko, A. M. - Piggot, T. J. - Piñeiro, Á. - Reuter, N. - Samantray, S. - Suarez-Leston, F. - Talandashti, R. - Ollila, O. H. S.
Overlay databank unlocks data-driven analyses of biomolecules for all.
Nature Communications. Roč. 15, February (2024), č. článku 1136. E-ISSN 2041-1723
Institutional support: RVO:61388963
Keywords : molecular-structures * lipid-bilayers * flip-flop
Impact factor: 16.6, year: 2022
Method of publishing: Open access
https://doi.org/10.1038/s41467-024-45189-z
Permanent Link: https://hdl.handle.net/11104/0351068 - 2.0575757 - ÚOCHB 2024 RIV US eng J - Journal Article
Javanainen, Matti - Heftberger, P. - Madsen, J. J. - Miettinen, M. S. - Pabst, G. - Ollila, O. H. S.
Quantitative Comparison against Experiments Reveals Imperfections in Force Fields’ Descriptions of POPC-Cholesterol Interactions.
Journal of Chemical Theory and Computation. Roč. 19, č. 18 (2023), s. 6342-6352. ISSN 1549-9618. E-ISSN 1549-9626
Institutional support: RVO:61388963
Keywords : molecular-dynamics simulations * lipid-bilayer structure * small-angle neutron
OECD category: Physical chemistry
Impact factor: 5.5, year: 2022
Method of publishing: Open access
https://doi.org/10.1021/acs.jctc.3c00648
Permanent Link: https://hdl.handle.net/11104/0345487 - 3.0558864 - ÚOCHB 2023 RIV US eng J - Journal Article
Antila, H. S. - Kav, B. - Miettinen, M. S. - Martinez-Seara, Hector - Jungwirth, Pavel - Ollila, O. H. S.
Emerging Era of Biomolecular Membrane Simulations: Automated Physically-Justified Force Field Development and Quality-Evaluated Databanks.
Journal of Physical Chemistry B. Roč. 126, č. 23 (2022), s. 4169-4183. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GX19-26854X
Institutional support: RVO:61388963
Keywords : lipids * membranes * molecular mechanics * molecules * quality management
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcb.2c01954
Permanent Link: https://hdl.handle.net/11104/0332448 - 4.0556419 - ÚOCHB 2023 RIV US eng J - Journal Article
Tempra, Carmelo - Ollila, O. H. S. - Javanainen, Matti
Accurate Simulations of Lipid Monolayers Require a Water Model with Correct Surface Tension.
Journal of Chemical Theory and Computation. Roč. 18, č. 3 (2022), s. 1862-1869. ISSN 1549-9618. E-ISSN 1549-9626
Institutional support: RVO:61388963
Keywords : molecular dynamics simulations * linear constraint solver * polarizable force field
OECD category: Physical chemistry
Impact factor: 5.5, year: 2022
Method of publishing: Open access
https://doi.org/10.1021/acs.jctc.1c00951
Permanent Link: http://hdl.handle.net/11104/0330640 - 5.0545666 - ÚOCHB 2022 RIV US eng J - Journal Article
Bacle, A. - Buslaev, P. - Garcia-Fandino, R. - Favela-Rosales, F. - Mendes Ferreira, T. - Fuchs, P. F. J. - Gushchin, I. - Javanainen, Matti - Kiirikki, A. M. - Madsen, J. J. - Melcr, J. - Milán Rodríguez, P. - Miettinen, M. S. - Ollila, O. H. S. - Papadopoulos, C. G. - Peón, A. - Piggot, T. J. - Piñeiro, Á. - Virtanen, S.
Inverse Conformational Selection in Lipid-Protein Binding.
Journal of the American Chemical Society. Roč. 143, č. 34 (2021), s. 13701-13709. ISSN 0002-7863. E-ISSN 1520-5126
Institutional support: RVO:61388963
Keywords : membrane lipids * phosphatidylcholine headgroup * phospholipid binding
OECD category: Physical chemistry
Impact factor: 16.383, year: 2021
Method of publishing: Open access
https://doi.org/10.1021/jacs.1c05549
Permanent Link: http://hdl.handle.net/11104/0322335
Research data: Zenodo - 6.0524096 - ÚOCHB 2021 RIV US eng J - Journal Article
Javanainen, Matti - Ollila, O. H. S. - Martinez-Seara, Hector
Rotational Diffusion of Membrane Proteins in Crowded Membranes.
Journal of Physical Chemistry B. Roč. 124, č. 15 (2020), s. 2994-3001. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GX19-26854X
Institutional support: RVO:61388963
Keywords : lipid membranes * Brownian motion * force field
OECD category: Physical chemistry
Impact factor: 2.991, year: 2020
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.jpcb.0c00884
Permanent Link: http://hdl.handle.net/11104/0308436 - 7.0489866 - ÚFCH JH 2019 RIV US eng J - Journal Article
Javanainen, M. - Lamberg, A. - Cwiklik, Lukasz - Vattulainen, I. - Ollila, O. H. S.
Atomistic Model for Nearly Quantitative Simulations of Langmuir Monolayers.
Langmuir. Roč. 34, č. 7 (2018), s. 2565-2572. ISSN 0743-7463
R&D Projects: GA ČR(CZ) GA17-06792S
Institutional support: RVO:61388955
Keywords : Atomistic molecular dynamics simulations * Bioinformatics * fluid lipid layer
OECD category: Physical chemistry
Impact factor: 3.683, year: 2018
Permanent Link: http://hdl.handle.net/11104/0284184File Download Size Commentary Version Access 0489866.pdf 3 472.5 KB Publisher’s postprint require - 8.0469690 - ÚOCHB 2017 RIV GB eng J - Journal Article
Catte, A. - Girych, M. - Javanainen, M. - Loison, C. - Melcr, Josef - Miettinen, M. S. - Monticelli, L. - Määttä, J. - Oganesyan, V. S. - Ollila, O. H. S. - Tynkkynen, J. - Vilov, S.
Molecular electrometer and binding of cations to phospholipid bilayers.
Physical Chemistry Chemical Physics. Roč. 18, č. 47 (2016), s. 32560-32569. ISSN 1463-9076. E-ISSN 1463-9084
Institutional support: RVO:61388963
Keywords : atom force field * free energy perturbation * lipis membranes
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.123, year: 2016
Permanent Link: http://hdl.handle.net/11104/0267513