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Biological and Medicinal Chemistry

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PyRosetta

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2 results in Keywords: PyRosetta

Theoretical and Computational Chemistry

Folding Coarse-Grained Oligomer Models with PyRosetta

Theodore L. Fobe, Christopher C. Walker, Garrett A. Meek, Michael R. Shirts

Version 2 posted 19 May 2022

481

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Biological and Medicinal Chemistry

Fragmenstein: predicting protein-ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding–based methodology

Matteo P. Ferla, Rubén Sánchez-García, Rachael E. Skyner, Stefan Gahbauer, Jenny C. Taylor, Frank von Delft, Brian D. Marsden, Charlotte M. Deane

Version 1 posted 26 February 2024

1,069

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