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2020 – today
- 2021
[j17]Prasanthi Medarametla
, Thales Kronenberger, Tuomo Laitinen, Antti Poso:
Structural Characterization of LsrK as a Quorum Sensing Target and a Comparison between X-ray and Homology Models. J. Chem. Inf. Model. 61(3): 1346-1353 (2021)- 2020
- [j16]Karim Abbasi, Parvin Razzaghi, Antti Poso, Massoud Amanlou, Jahan B. Ghasemi, Ali Masoudi-Nejad:
DeepCDA: deep cross-domain compound-protein affinity prediction through LSTM and convolutional neural networks. Bioinform. 36(17): 4633-4642 (2020)
2010 – 2019
- 2019
- [j15]Karim Abbasi, Antti Poso, Jahan B. Ghasemi, Massoud Amanlou, Ali Masoudi-Nejad:
Deep Transferable Compound Representation across Domains and Tasks for Low Data Drug Discovery. J. Chem. Inf. Model. 59(11): 4528-4539 (2019) - 2018
- [j14]Tatu Pantsar, Sami Rissanen, Daniel Dauch, Tuomo Laitinen, Ilpo Vattulainen, Antti Poso:
Assessment of mutation probabilities of KRAS G12 missense mutants and their long-timescale dynamics by atomistic molecular simulations and Markov state modeling. PLoS Comput. Biol. 14(9) (2018) - 2014
- [j13]Suleiman A. Khan, Seppo Virtanen, Olli-P. Kallioniemi, Krister Wennerberg, Antti Poso, Samuel Kaski:
Identification of structural features in chemicals associated with cancer drug response: a systematic data-driven analysis. Bioinform. 30(17): 497-504 (2014) - [j12]Muhammad Ammad-ud-din, Elisabeth Georgii, Mehmet Gönen, Tuomo Laitinen, Olli-P. Kallioniemi, Krister Wennerberg, Antti Poso, Samuel Kaski:
Integrative and Personalized QSAR Analysis in Cancer by Kernelized Bayesian Matrix Factorization. J. Chem. Inf. Model. 54(8): 2347-2359 (2014) - 2012
- [j11]Suleiman A. Khan, Ali Faisal, John Mpindi, Juuso A. Parkkinen, Tuomo Kalliokoski, Antti Poso, Olli-P. Kallioniemi, Krister Wennerberg, Samuel Kaski:
Comprehensive data-driven analysis of the impact of chemoinformatic structure on the genome-wide biological response profiles of cancer cells to 1159 drugs. BMC Bioinform. 13: 112 (2012) - [j10]Johanna Jyrkkärinne, Jenni Küblbeck, Juha Pulkkinen, Paavo Honkakoski, Reino Laatikainen, Antti Poso, Tuomo Laitinen:
Molecular Dynamics Simulations for Human CAR Inverse Agonists. J. Chem. Inf. Model. 52(2): 457-464 (2012)
2000 – 2009
- 2009
- [j9]Pekka Tiikkainen, Antti Poso, Olli-P. Kallioniemi:
Comparison of structure fingerprint and molecular interaction field based methods in explaining biological similarity of small molecules in cell-based screens. J. Comput. Aided Mol. Des. 23(4): 227-239 (2009) - [j8]Pekka Tiikkainen, Patrick Markt, Gerhard Wolber, Johannes Kirchmair, Simona Distinto, Antti Poso, Olli-P. Kallioniemi:
Critical Comparison of Virtual Screening Methods against the MUV Data Set. J. Chem. Inf. Model. 49(10): 2168-2178 (2009) - [j7]Tuomo Kalliokoski, Heikki S. Salo, Maija Lahtela-Kakkonen, Antti Poso:
The Effect of Ligand-Based Tautomer and Protomer Prediction on Structure-Based Virtual Screening. J. Chem. Inf. Model. 49(12): 2742-2748 (2009) - 2008
- [j6]Tuomo Kalliokoski, Toni Rönkkö, Antti Poso:
FieldChopper, A New Tool for Automatic Model Generation and Virtual Screening Based on Molecular Fields. J. Chem. Inf. Model. 48(6): 1131-1137 (2008) - 2006
- [j5]Toni Rönkkö, Anu J. Tervo, Jussi Parkkinen, Antti Poso:
BRUTUS: Optimization of a grid-based similarity function for rigid-body molecular superposition. II. Description and characterization. J. Comput. Aided Mol. Des. 20(4): 227-236 (2006) - [j4]Tero Huhtiniemi, Carsten Wittekindt, Tuomo Laitinen, Jukka Leppänen, Antero Salminen, Antti Poso, Maija Lahtela-Kakkonen:
Comparative and pharmacophore model for deacetylase SIRT1. J. Comput. Aided Mol. Des. 20(9): 589-599 (2006) - 2004
- [j3]Anu J. Tervo, Tommi H. Nyrönen, Toni Rönkkö, Antti Poso:
Comparing the Quality and Predictiveness between 3D QSAR Models Obtained from Manual and Automated Alignment. J. Chem. Inf. Model. 44(3): 807-816 (2004) - 2003
- [j2]Anu J. Tervo, Tommi H. Nyrönen, Toni Rönkkö, Antti Poso:
A structure-activity relationship study of catechol-O-methyltransferase inhibitors combining molecular docking and 3D QSAR methods. J. Comput. Aided Mol. Des. 17(12): 797-810 (2003) - 2001
- [j1]Antti Poso, Jukka Gynther, Risto Juvonen:
A comparative molecular field analysis of cytochrome P450 2A5 and 2A6 inhibitors. J. Comput. Aided Mol. Des. 15(3): 195-202 (2001)
Coauthor Index
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