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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Sebastian Thallmair

4 results in Authors: Sebastian Thallmair

Theoretical and Computational Chemistry

Optimal bond-constraint topology for molecular dynamics simulations of cholesterol

Balázs Fábián, Sebastian Thallmair, Gerhard Hummer

Version 1 posted 18 October 2022

472

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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

1,471

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2

Citations

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

801

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Theoretical and Computational Chemistry

S273 phosphorylation restricts PPARy structural dynamics - a multiscale modeling view on the mechanisms of obesity metabolism

Marieli Mariano Gonçalves Dias, Cristina Gil Herrero, Ana Carolina Migliorini Figueira, Sebastian Thallmair

Version 1 posted 23 October 2024

98

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