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conformational ensembles

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3 results in Keywords: conformational ensembles

Theoretical and Computational Chemistry

Statistical accuracy of molecular dynamics-based methods for sampling conformational ensembles of disordered proteins

Adolfo Bastida, José Zúñiga, Federico Fogolari, Miguel A. Soler

Version 1 posted 20 June 2024

259

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Biological and Medicinal Chemistry

A new view of missense mutations in α-mannosidosis using molecular dynamics conformational ensembles

Spela Mandl, Bruno Di Geronimo, Santiago Alonso-Gil, Gibu George, Ulrika Ferstl, Sereina Annik Herzog, Bojan Zagrovic, Christoph Nusshold, Pedro Alejandro Sánchez-Murcia

Version 2 posted 08 August 2024

158

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Biological and Medicinal Chemistry

Comprehensive Encoding of Conformational and Compositional Protein Structural Ensembles through mmCIF Data Structure

Stephanie Wankowicz, James Fraser

Version 3 posted 29 March 2024

657

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2

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