Search

Theoretical and Computational Chemistry

Working Paper

Quantitative Comparison Against Experiments Reveals Imperfections in Force Fields' Descriptions of Phospholipid-Cholesterol Interactions

Matti Javanainen, Peter Heftberger, Jesper Madsen, Markus Miettinen, Georg Pabst, Samuli Ollila

Version 1 posted 15 June 2023

166

Downloads

Physical Chemistry

Working Paper

Overlay databank unlocks data-driven analyses of biomolecules for all

Anne Kiirikki, Hanne Antila, Lara Bort, Pavel Buslaev, Favela Fernando, Tiago Mendes Ferreira, Patrick Fuchs, Rebeca Garcia-Fandino, Ivan Gushchin, Batuhan Kav, Norbert Kučerka, Patrik Kula, Milla Kurki, Alexander Kuzmin, Anusha Lalitha, Fabio Lolicato, Jesper Madsen, Markus Miettinen, Cedric Mingham, Luca Monticelli, Ricky Nencini, Alexey Nesterenko, Thomas Piggot, Angel Pineiro, Nathalie Reuter, Suman Samantray, Fabian Suarez-Leston, Reza Talandashti, Samuli Ollila

Version 3 posted 05 December 2023

464

Downloads

Physical Chemistry

Working Paper

Probing the dynamic landscape of peptides in membrane mimics by synergized NMR experiments and MD simulations

Ricky Nencini, Morgan Regnier, Sofia Backlund, Efstathia Mantzari, Cory Dunn, Samuli Ollila

Version 1 posted 21 August 2023

138

Downloads

Physical Chemistry

Review

Emerging Era of Biomolecular Membrane Simulations: Automated Physically-Justified Force Field Development and Quality-Evaluated Databanks

Hanne S. Antila, Batuhan Kav, Markus S. Miettinen, Hector Martinez-Seara, Pavel Jungwirth, O. H. Samuli Ollila

Version 1 posted 22 March 2022

192

Downloads

Physical Chemistry

Working Paper

Accurate Simulations of Lipid Monolayers Require a Water Model With Correct Surface Tension

Carmelo Tempra, O.H. Samuli Ollila, Matti Javanainen

Version 1 posted 28 September 2021

329

Downloads

Physical Chemistry

Working Paper

Charged small molecule binding to membranes in MD simulations evaluated against NMR experiments

Ricky Nencini, Samuli Ollila

Version 2 posted 01 August 2022

213

Downloads

Theoretical and Computational Chemistry

Working Paper

Sharing Data from Molecular Simulations

Mark J. Abraham, Rossen Apostolov, Jonathan Barnoud, Paul Bauer, Christian Blau, Alexandre M.J.J. Bonvin, matthieu chavent, John Chodera, Karmen Condic-Jurkic, Lucie Delemotte, Helmut Grubmüller, Rebecca J. Howard, E joseph jordan, Erik Lindahl, Samuli Ollila, Jana Selent, Daniel Smith, Phillip J. Stansfeld, Johanna Tiemann, Mikael Trellet, Christopher Woods, Artem Zhmurov

Version 1 posted 09 September 2019

1,203

Downloads

Refine Search

7 results in Samuli Ollila in Authors: Samuli Ollila

Quantitative Comparison Against Experiments Reveals Imperfections in Force Fields' Descriptions of Phospholipid-Cholesterol Interactions

Overlay databank unlocks data-driven analyses of biomolecules for all

Probing the dynamic landscape of peptides in membrane mimics by synergized NMR experiments and MD simulations

Emerging Era of Biomolecular Membrane Simulations: Automated Physically-Justified Force Field Development and Quality-Evaluated Databanks

Accurate Simulations of Lipid Monolayers Require a Water Model With Correct Surface Tension

Charged small molecule binding to membranes in MD simulations evaluated against NMR experiments

Sharing Data from Molecular Simulations

7 results in Authors: Samuli Ollila