Comparison of Virtual High-Throughput Screening Methods for the Identification of Phosphodiesterase-5 Inhibitors. - Sanna P. Niinivehmas; Salla I. Virtanen; Jukka V. Lehtonen; Pekka A. Postila; Olli T. Pentikäinen (J. Chem. Inf. Model., 2011)

Full and Partial Agonism of Ionotropic Glutamate Receptors Indicated by Molecular Dynamics Simulations. - Pekka A. Postila; Mikko Ylilauri; Olli T. Pentikäinen (J. Chem. Inf. Model., 2011)

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)

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)

Atomistic simulations reveal impacts of missense mutations on the structure and function of SynGAP1. - Aliaa E. Ali; Li-Li Li; Michael J. Courtney; Olli T. Pentikäinen; Pekka A. Postila (Briefings Bioinform., 2024)

Building shape-focused pharmacophore models for effective docking screening. - Paola Moyano-Gómez; Jukka V. Lehtonen; Olli T. Pentikäinen; Pekka A. Postila (J. Cheminformatics, 2024)