Getting Docking into Shape Using Negative Image-Based Rescoring. - Sami T. Kurkinen; Sakari Lätti; Olli T. Pentikäinen; Pekka A. Postila (J. Chem. Inf. Model., 2019)

Detection of Binding Sites on SARS-CoV-2 Spike Protein Receptor-Binding Domain by Molecular Dynamics Simulations in Mixed Solvents. - Elmeri M. Jokinen; Krishnasamy Gopinath; Sami T. Kurkinen; Olli T. Pentikäinen (IEEE ACM Trans. Comput. Biol. Bioinform., 2021)

Optimization of Cavity-Based Negative Images to Boost Docking Enrichment in Virtual Screening. - Sami T. Kurkinen; Jukka V. Lehtonen; Olli T. Pentikäinen; Pekka A. Postila (J. Chem. Inf. Model., 2022)