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Mauricio Esguerra - Publications

Affiliations: 
2013-2014 Department of Cell and Molecular Biology Uppsala University, Uppsala, Uppsala län, Sweden 
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4 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Jespers W, Esguerra M, Åqvist J, Gutiérrez-de-Terán H. QligFEP: an automated workflow for small molecule free energy calculations in Q. Journal of Cheminformatics. 11: 26. PMID 30941533 DOI: 10.1186/S13321-019-0348-5  0.405
2019 Lind C, Esguerra M, Jespers W, Satpati P, Gutierrez-de-Terán H, Åqvist J. Free energy calculations of RNA interactions. Methods (San Diego, Calif.). PMID 30794905 DOI: 10.1016/J.Ymeth.2019.02.014  0.466
2018 Barrozo A, Liao Q, Esguerra M, Marloie G, Florián J, Williams NH, Kamerlin SCL. Computer simulations of the catalytic mechanism of wild-type and mutant β-phosphoglucomutase. Organic & Biomolecular Chemistry. PMID 29508879 DOI: 10.1039/C8Ob00312B  0.458
2018 Bauer P, Barrozo A, Amrein BA, Purg M, Esguerra M, Wilson PB, Major DT, Aqvist J, Kamerlin SCL. Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations Softwarex. DOI: 10.1016/J.Softx.2017.12.001  0.387
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