Andrew Anighoro

Publication Activity (10 Years)

Years Active: 2013-2022
Publications (10 Years): 5

Top Topics

Ranking Functions

Protein Folding

Similarity Metric

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

J. Cheminformatics

Publications

Paul Bertin, Jarrid Rector-Brooks, Deepak Sharma, Thomas Gaudelet, Andrew Anighoro, Torsten Gross, Francisco Martinez-Pena, Eileen L. Tang, Suraj M. S, Cristian Regep, Jeremy B. R. Hayter, Maksym Korablyov, Nicholas Valiante, Almer van der Sloot, Mike Tyers, Charles Roberts, Michael M. Bronstein, Luke L. Lairson, Jake P. Taylor-King, Yoshua Bengio
RECOVER: sequential model optimization platform for combination drug repurposing identifies novel synergistic compounds in vitro. CoRR (2022)
Rocco Meli, Andrew Anighoro, Michael J. Bodkin, Garrett M. Morris, Philip C. Biggin
Learning protein-ligand binding affinity with atomic environment vectors. J. Cheminformatics 13 (1) (2021)
Andrew Anighoro, Jürgen Bajorath
Binding mode similarity measures for ranking of docking poses: a case study on the adenosine A2A receptor. J. Comput. Aided Mol. Des. 30 (6) (2016)
Andrew Anighoro, Jürgen Bajorath
Three-Dimensional Similarity in Molecular Docking: Prioritizing Ligand Poses on the Basis of Experimental Binding Modes. J. Chem. Inf. Model. 56 (3) (2016)
Andrew Anighoro, Antonio de la Vega de León, Jürgen Bajorath
Predicting bioactive conformations and binding modes of macrocycles. J. Comput. Aided Mol. Des. 30 (10) (2016)
Andrew Anighoro, Dagmar Stumpfe, Kathrin Heikamp, Kristin Beebe, Leonard M. Neckers, Jürgen Bajorath, Giulio Rastelli
Computational Polypharmacology Analysis of the Heat Shock Protein 90 Interactome. J. Chem. Inf. Model. 55 (3) (2015)
Andrew Anighoro, Giulio Rastelli
Enrichment Factor Analyses on G-Protein Coupled Receptors with Known Crystal Structure. J. Chem. Inf. Model. 53 (4) (2013)