Simone Fulle

Publication Activity (10 Years)

Years Active: 2010-2018
Publications (10 Years): 4

Top Topics

Supervised Machine Learning

Subcellular Localization

Top Venues

J. Chem. Inf. Model.

Publications

Sabrina Jaeger, Simone Fulle, Samo Turk
Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition. J. Chem. Inf. Model. 58 (1) (2018)
Samo Turk, Benjamin Merget, Friedrich Rippmann, Simone Fulle
Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization. J. Chem. Inf. Model. 57 (12) (2017)
Sameh Eid, Samo Turk, Andrea Volkamer, Friedrich Rippmann, Simone Fulle
KinMap: a web-based tool for interactive navigation through human kinome data. BMC Bioinform. 18 (1) (2017)
Andrea Volkamer, Sameh Eid, Samo Turk, Friedrich Rippmann, Simone Fulle
Identification and Visualization of Kinase-Specific Subpockets. J. Chem. Inf. Model. 56 (2) (2016)
Andrea Volkamer, Sameh Eid, Samo Turk, Sabrina Jaeger, Friedrich Rippmann, Simone Fulle
Pocketome of Human Kinases: Prioritizing the ATP Binding Sites of (Yet) Untapped Protein Kinases for Drug Discovery. J. Chem. Inf. Model. 55 (3) (2015)
G. Lauro, Noelia Ferruz, Simone Fulle, Matt J. Harvey, Paul W. Finn, Gianni De Fabritiis
Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods. J. Chem. Inf. Model. 54 (8) (2014)
Simone Fulle, Chrislaine Withers-Martinez, Michael J. Blackman, Garrett M. Morris, Paul W. Finn
Subtilisin-like Protease 1. J. Chem. Inf. Model. 53 (3) (2013)
Simone Fulle, M. Stuart Armstrong, Paul W. Finn, Garrett M. Morris
Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening. J. Cheminformatics 4 (S-1) (2012)
Simone Fulle, Holger Gohlke
Constraint counting on RNA and ribosomal structures: linking flexibility and function. J. Cheminformatics 3 (S-1) (2011)
Simone Fulle, Nina Alexandra Christ, Eva Kestner, Holger Gohlke
HIV-1 TAR RNA Spontaneously Undergoes Relevant Apo-to-Holo Conformational Transitions in Molecular Dynamics and Constrained Geometrical Simulations. J. Chem. Inf. Model. 50 (8) (2010)