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Theoretical and Computational Chemistry

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Manuel N. Melo

4 results in Authors: Manuel N. Melo

Theoretical and Computational Chemistry

Pitfalls of the Martini Model

Riccardo Alessandri, Paulo C. T. Souza, Sebastian Thallmair, Manuel N. Melo, Alex H. de Vries, Siewert-Jan Marrink

Version 1 posted 16 May 2019

806

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Theoretical and Computational Chemistry

Improved Parameterization of Phosphatidylinositide Lipid Headgroups for the Martini 3 Coarse Grain Force Field

Luis Borges-Araújo, Paulo Souza, Fábio Fernandes, Manuel N. Melo

Version 2 posted 14 June 2021

1,388

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Theoretical and Computational Chemistry

The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior

Kasper B. Pedersen, Helgi I. Ingólfsson, Daniel P. Ramirez-Echemendia, Luís Borges-Araújo, Mikkel D. Andreasen, Charly Empereur-mot, Josef Melcr, Tugba N. Ozturk, Drew W. F. Bennett, Lisbeth R. Kjølbye, Christopher Brasnett, Valentina Corradi, Hanif M. Khan, Elio A. Cino, Jackson Crowley, Hyuntae Kim, Balázs Fábián, Ana C. Borges-Araújo, Giovanni M. Pavan, Fabio Lolicato, Tsjerk A. Wassenaar, Manuel N. Melo, Sebastian Thallmair, Timothy S. Carpenter, Luca Monticelli, D. Peter Tieleman, Birgit Schiøtt, Paulo C. T. Souza, Siewert J. Marrink

Version 1 posted 26 December 2024

894

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1

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Theoretical and Computational Chemistry

Martini 3 Coarse-Grained Force Field for cholesterol

Luís Borges-Araújo, Ana Borges-Araújo, Tugba Ozturk, Daniel P. Ramirez-Echemendia, Balázs Fábián, Timothy S. Carpenter, Sebastian Thallmair, Jonathan Barnoud, Helgi I. Ingólfsson, Gerhard Hummer, D. Peter Tieleman, Siewert J. Marrink, Paulo C. T. Souza, Manuel N. Melo

Version 2 posted 22 September 2023

1,502

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2

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