Author

Manuel Simoes

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Bioinformatics· 1

Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 1 Approach:statistical model· 1

Frequent Co-Authors

Fabrice LeclerciD· 1 shared Luís A. MonteroiD· 1 shared Nicolas Chevrollier· 1 shared Roy González‐AlemániD· 1 shared

Activity by Year

2021-2021 · peak 1/yr

Co-Author Collaboration Network

4 top collaborators · 6 mutual co-author links

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1 shared paperBioinformatics

Fabrice LeclercORCID

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1 paper

Recent·Most cited

MCSS-based Predictions of Binding Mode and Selectivity of Nucleotide Ligands

Roy González‐Alemán, Nicolas Chevrollier, Manuel Simoes, Luís A. Montero, Fabrice Leclerc

The paper evaluates an MCSS-based docking approach for predicting binding modes and selectivity of nucleotide ligands, showing improved performance with hybrid solvent models and pose clustering.

Journal of Chemical Theory and Computation · Mar 25, 2021Peer-reviewedBioinformatics