Simone Fulle

According to our database, Simone Fulle authored at least 10 papers between 2010 and 2018.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2018

Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition.

Sabrina Jaeger, Simone Fulle, Samo Turk

J. Chem. Inf. Model., 2018

2017

Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization.

Samo Turk, Benjamin Merget, Friedrich Rippmann, Simone Fulle

J. Chem. Inf. Model., December, 2017

KinMap: a web-based tool for interactive navigation through human kinome data.

Sameh Eid, Samo Turk, Andrea Volkamer, Friedrich Rippmann, Simone Fulle

BMC Bioinform., 2017

2016

Identification and Visualization of Kinase-Specific Subpockets.

Andrea Volkamer, Sameh Eid, Samo Turk, Friedrich Rippmann, Simone Fulle

J. Chem. Inf. Model., 2016

2015

Pocketome of Human Kinases: Prioritizing the ATP Binding Sites of (Yet) Untapped Protein Kinases for Drug Discovery.

Andrea Volkamer, Sameh Eid, Samo Turk, Sabrina Jaeger, Friedrich Rippmann, Simone Fulle

J. Chem. Inf. Model., 2015

2014

Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods.

Gianluigi Lauro, Noelia Ferruz, Simone Fulle, Matt J. Harvey, Paul W. Finn, Gianni De Fabritiis

J. Chem. Inf. Model., 2014

2013

Molecular Determinants of Binding to the <i>Plasmodium</i> Subtilisin-like Protease 1.

Simone Fulle, Chrislaine Withers-Martinez, Michael J. Blackman, Garrett M. Morris, Paul W. Finn

J. Chem. Inf. Model., 2013

2012

Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening.

Simone Fulle, M. Stuart Armstrong, Paul W. Finn, Garrett M. Morris

J. Cheminformatics, 2012

2011

Constraint counting on RNA and ribosomal structures: linking flexibility and function.

Simone Fulle, Holger Gohlke

J. Cheminformatics, 2011

2010

HIV-1 TAR RNA Spontaneously Undergoes Relevant Apo-to-Holo Conformational Transitions in Molecular Dynamics and Constrained Geometrical Simulations.

Simone Fulle, Nina Alexandra Christ, Eva Kestner, Holger Gohlke

J. Chem. Inf. Model., 2010