Olli T. Pentikäinen

Publication Activity (10 Years)

Years Active: 2004-2024
Publications (10 Years): 6

Top Topics

Computationally Efficient

Virtual Screening

Molecular Dynamics

Drosophila Melanogaster

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

IEEE ACM Trans. Comput. Biol. Bioinform.

J. Comput. Aided Mol. Des.

Publications

Paola Moyano-Gómez, Jukka V. Lehtonen, Olli T. Pentikäinen, Pekka A. Postila
Building shape-focused pharmacophore models for effective docking screening. J. Cheminformatics 16 (1) (2024)
Sami T. Kurkinen, Jukka V. Lehtonen, Olli T. Pentikäinen, Pekka A. Postila
Optimization of Cavity-Based Negative Images to Boost Docking Enrichment in Virtual Screening. J. Chem. Inf. Model. 62 (4) (2022)
Sakari Lätti, Sanna P. Niinivehmas, Olli T. Pentikäinen
Sdfconf: A Novel, Flexible, and Robust Molecular Data Management Tool. J. Chem. Inf. Model. 62 (1) (2022)
Elmeri M. Jokinen, Krishnasamy Gopinath, Sami T. Kurkinen, Olli T. Pentikäinen
Detection of Binding Sites on SARS-CoV-2 Spike Protein Receptor-Binding Domain by Molecular Dynamics Simulations in Mixed Solvents. IEEE ACM Trans. Comput. Biol. Bioinform. 18 (4) (2021)
Sami T. Kurkinen, Sakari Lätti, Olli T. Pentikäinen, Pekka A. Postila
Getting Docking into Shape Using Negative Image-Based Rescoring. J. Chem. Inf. Model. 59 (8) (2019)
Sakari Lätti, Sanna P. Niinivehmas, Olli T. Pentikäinen
Rocker: Open source, easy-to-use tool for AUC and enrichment calculations and ROC visualization. J. Cheminformatics 8 (1) (2016)
Sanna P. Niinivehmas, Kari Salokas, Sakari Lätti, Hannu Raunio, Olli T. Pentikäinen
Ultrafast protein structure-based virtual screening with Panther. J. Comput. Aided Mol. Des. 29 (10) (2015)
Mikko Ylilauri, Olli T. Pentikäinen
MMGBSA As a Tool To Understand the Binding Affinities of Filamin-Peptide Interactions. J. Chem. Inf. Model. 53 (10) (2013)
Sanna P. Niinivehmas, Salla I. Virtanen, Jukka V. Lehtonen, Pekka A. Postila, Olli T. Pentikäinen
Comparison of Virtual High-Throughput Screening Methods for the Identification of Phosphodiesterase-5 Inhibitors. J. Chem. Inf. Model. 51 (6) (2011)
Pekka A. Postila, Mikko Ylilauri, Olli T. Pentikäinen
Full and Partial Agonism of Ionotropic Glutamate Receptors Indicated by Molecular Dynamics Simulations. J. Chem. Inf. Model. 51 (5) (2011)
Salla I. Virtanen, Olli T. Pentikäinen
Efficient Virtual Screening Using Multiple Protein Conformations Described as Negative Images of the Ligand-Binding Site. J. Chem. Inf. Model. 50 (6) (2010)
Jukka V. Lehtonen, Dan-Johan Still, Ville-Veikko Rantanen, Jan Ekholm, Dag Björklund, Zuhair Iftikhar, Mikko Huhtala, Susanna Repo, Antti Jussila, Jussi Jaakkola, Olli T. Pentikäinen, Tommi H. Nyrönen, Tiina Salminen, Mats Gyllenberg, Mark S. Johnson
BODIL: a molecular modeling environment for structure-function analysis and drug design. J. Comput. Aided Mol. Des. 18 (6) (2004)