Antti Poso

25 papers Journal 25
YearRankTypeTitle / Venue / Authors
2026 J jnl
Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site.
J. Chem. Inf. Model.
David Alencar Araripe, Alejandro Díaz-Holguín, Antti Poso, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutiérrez-de-Terán, Willem Jespers
2025 J jnl
A Twist of Fate: The Helix-Turn-Helix Motif in
J. Chem. Inf. Model.
Prasanthi Medarametla, Jack Calum Greenhalgh, Ina Pöhner, Martin Welch, Antti Poso, Thales Kronenberger, Taufiq Rahman
2025 J jnl
Look What You Made Me Do: Discerning Feature for Classification of Endocrine-Disrupting Chemical Binding to Steroid Hormone Receptors.
J. Chem. Inf. Model.
Azam Rashidian, Sini Pitkänen, Vinicius Gonçalves Maltarollo, Ulrich Schoppmeier, Ekaterina Shevchenko, Prasanthi Medarametla, Antti Poso, Jenni Küblbeck, Paavo Honkakoski, Thales Kronenberger
2024 J jnl
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach.
J. Chem. Inf. Model.
Mateus Sá Magalhães Serafim, Thales Kronenberger, Rafael Eduardo Oliveira Rocha, Amanda Del Rio Abreu Rosa, Thaysa Lara Gonçalves Mello, Antti Poso, Rafaela Salgado Ferreira, Jonatas Santos Abrahão, Erna Geessien Kroon, Bruno Eduardo Fernandes Mota, Vinicius Gonçalves Maltarollo
2023 J jnl
Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries.
J. Chem. Inf. Model.
Toni Sivula, Laxman Yetukuri, Tuomo Kalliokoski, Heikki Käsnänen, Antti Poso, Ina Pöhner
2022 J jnl
Do Go Chasing Waterfalls: Enoyl Reductase (FabI) in Complex with Inhibitors Stabilizes the Tetrameric Structure and Opens Water Channels.
J. Chem. Inf. Model.
Vinicius Gonçalves Maltarollo, Ekaterina Shevchenko, Igor Daniel de Miranda Lima, Elio A. Cino, Glaucio Monteiro Ferreira, Antti Poso, Thales Kronenberger
2022 J jnl
Structure of POPC Lipid Bilayers in OPLS3e Force Field.
J. Chem. Inf. Model.
Milla Kurki, Antti Poso, Piia Bartos, Markus S. Miettinen
2022 J jnl
Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease M
J. Chem. Inf. Model.
Lucianna Helene Santos, Thales Kronenberger, Renata G. Almeida, Elany B. Silva, Rafael E. O. Rocha, Joyce C. Oliveira, Luiza V. Barreto, Danielle Skinner, Pavla Fajtová, Miriam A. Giardini, Brendon Woodworth, Conner Bardine, André L. Lourenço, Charles S. Craik, Antti Poso, Larissa M. Podust, James H. McKerrow, Jair L. Siqueira-Neto, Anthony J. O'Donoghue, Eufrânio N. da Silva Júnior, Rafaela Salgado Ferreira
2021 J jnl
Structural Characterization of LsrK as a Quorum Sensing Target and a Comparison between X-ray and Homology Models.
J. Chem. Inf. Model.
Prasanthi Medarametla, Thales Kronenberger, Tuomo Laitinen, Antti Poso
2020 J jnl
DeepCDA: deep cross-domain compound-protein affinity prediction through LSTM and convolutional neural networks.
Bioinform.
Karim Abbasi, Parvin Razzaghi, Antti Poso, Massoud Amanlou, Jahan B. Ghasemi, Ali Masoudi-Nejad
2019 J jnl
Deep Transferable Compound Representation across Domains and Tasks for Low Data Drug Discovery.
J. Chem. Inf. Model.
Karim Abbasi, Antti Poso, Jahan B. Ghasemi, Massoud Amanlou, Ali Masoudi-Nejad
2018 J jnl
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.
Tatu Pantsar, Sami Rissanen, Daniel Dauch, Tuomo Laitinen, Ilpo Vattulainen, Antti Poso
2014 J jnl
Identification of structural features in chemicals associated with cancer drug response: a systematic data-driven analysis.
Bioinform.
Suleiman A. Khan, Seppo Virtanen, Olli-P. Kallioniemi, Krister Wennerberg, Antti Poso, Samuel Kaski
2014 J jnl
Integrative and Personalized QSAR Analysis in Cancer by Kernelized Bayesian Matrix Factorization.
J. Chem. Inf. Model.
Muhammad Ammad-ud-din, Elisabeth Georgii, Mehmet Gönen, Tuomo Laitinen, Olli-P. Kallioniemi, Krister Wennerberg, Antti Poso, Samuel Kaski
2012 J jnl
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.
Suleiman A. Khan, Ali Faisal, John Mpindi, Juuso A. Parkkinen, Tuomo Kalliokoski, Antti Poso, Olli-P. Kallioniemi, Krister Wennerberg, Samuel Kaski
2012 J jnl
Molecular Dynamics Simulations for Human CAR Inverse Agonists.
J. Chem. Inf. Model.
Johanna Jyrkkärinne, Jenni Küblbeck, Juha Pulkkinen, Paavo Honkakoski, Reino Laatikainen, Antti Poso, Tuomo Laitinen
2009 J jnl
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.
Pekka Tiikkainen, Antti Poso, Olli-P. Kallioniemi
2009 J jnl
Critical Comparison of Virtual Screening Methods against the MUV Data Set.
J. Chem. Inf. Model.
Pekka Tiikkainen, Patrick Markt, Gerhard Wolber, Johannes Kirchmair, Simona Distinto, Antti Poso, Olli-P. Kallioniemi
2009 J jnl
The Effect of Ligand-Based Tautomer and Protomer Prediction on Structure-Based Virtual Screening.
J. Chem. Inf. Model.
Tuomo Kalliokoski, Heikki S. Salo, Maija Lahtela-Kakkonen, Antti Poso
2008 J jnl
FieldChopper, A New Tool for Automatic Model Generation and Virtual Screening Based on Molecular Fields.
J. Chem. Inf. Model.
Tuomo Kalliokoski, Toni Rönkkö, Antti Poso
2006 J jnl
BRUTUS: Optimization of a grid-based similarity function for rigid-body molecular superposition. II. Description and characterization.
J. Comput. Aided Mol. Des.
Toni Rönkkö, Anu J. Tervo, Jussi Parkkinen, Antti Poso
2006 J jnl
Comparative and pharmacophore model for deacetylase SIRT1.
J. Comput. Aided Mol. Des.
Tero Huhtiniemi, Carsten Wittekindt, Tuomo Laitinen, Jukka Leppänen, Antero Salminen, Antti Poso, Maija Lahtela-Kakkonen
2004 J jnl
Comparing the Quality and Predictiveness between 3D QSAR Models Obtained from Manual and Automated Alignment.
J. Chem. Inf. Model.
Anu J. Tervo, Tommi H. Nyrönen, Toni Rönkkö, Antti Poso
2003 J jnl
A structure-activity relationship study of catechol-O-methyltransferase inhibitors combining molecular docking and 3D QSAR methods.
J. Comput. Aided Mol. Des.
Anu J. Tervo, Tommi H. Nyrönen, Toni Rönkkö, Antti Poso
2001 J jnl
A comparative molecular field analysis of cytochrome P450 2A5 and 2A6 inhibitors.
J. Comput. Aided Mol. Des.
Antti Poso, Jukka Gynther, Risto Juvonen