Tuomo Kalliokoski

Orion Corporation (Finland) — Finland

Computer Science · Physical Sciences

16h-index1.1kcitations37works2.02yr avg
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Research Topics

Computational Drug Discovery Methods(18), Chemical Synthesis and Analysis(9), Machine Learning in Materials Science(5), Chemistry and Chemical Engineering(4), Protein Structure and Dynamics(3)

Publications36 total

SpaceHASTEN: A Structure-Based Virtual Screening Tool for Nonenumerated Virtual Chemical Libraries
Journal of Chemical Information and Modeling·2024· 4 cited
SpaceHASTEN: A structure-based virtualscreening tool for non-enumerated virtualchemical libraries
2024Open Access
Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening
Bioorganic & Medicinal Chemistry Letters·2023· 9 citedOpen Access
Drug screen in iPSC-Neurons identifies nucleoside analogs as inhibitors of (G4C2)n expression in C9orf72 ALS/FTD
Cell Reports·2022· 31 citedOpen Access
Machine Learning Boosted Docking (HASTEN): An Open‐source Tool To Accelerate Structure‐based Virtual Screening Campaigns
Molecular Informatics·2021· 23 cited
Machine Learning Boosted Docking (HASTEN): An Open-Source Tool To Accelerate Structure-based Virtual Screening Campaigns
2021Open Access
Machine Learning Boosted Docking (HASTEN): An Open-Source Tool To Accelerate Structurebased Virtual Screening Campaigns
2021Open Access
Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors
Bioorganic & Medicinal Chemistry Letters·2020· 4 citedOpen Access
Predicting pK<sub>a</sub> for Small Molecules on Public and In‐house Datasets Using Fast Prediction Methods Combined with Data Fusion
Molecular Informatics·2019· 11 cited
Translation of innovative chemistry into screening libraries: an exemplar partnership from the European Lead Factory
Drug Discovery Today·2018· 13 cited
CCDC 1577645: Experimental Crystal Structure Determination
The Cambridge Structural Database·2018Open Access
Realisation of small molecule libraries based on frameworks distantly related to natural products
Organic & Biomolecular Chemistry·2018· 19 cited
Design and synthesis of DNA-encoded libraries based on a benzodiazepine and a pyrazolopyrimidine scaffold
MedChemComm·2016· 36 citedOpen Access
ChemInform Abstract: Exploitation of the Ugi—Joullie Reaction in the Synthesis of Libraries of Drug‐Like Bicyclic Hydantoins.
ChemInform·2015
Expansion of chemical space for collaborative lead generation and drug discovery: the European Lead Factory Perspective
Drug Discovery Today·2015· 91 citedOpen Access
Price-Focused Analysis of Commercially Available Building Blocks for Combinatorial Library Synthesis
ACS Combinatorial Science·2015· 66 cited
Exploitation of the Ugi–Joullié Reaction in the Synthesis of Libraries of Drug-Like Bicyclic Hydantoins
Synthesis·2015· 20 cited
Aminomethylhydroxylation of alkenes: Exploitation in the synthesis of scaffolds for small molecule libraries
Bioorganic & Medicinal Chemistry·2015· 14 cited
CCDC 1033179: Experimental Crystal Structure Determination
The Cambridge Structural Database·2015Open Access
Design, synthesis and decoration of molecular scaffolds for exploitation in the production of alkaloid-like libraries
Bioorganic & Medicinal Chemistry·2014· 32 cited
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Frequent Co-authors

Adam Nelson(8), Stephen P. Marsden(8), Rémy Morgentin(7), Antti Poso(7), Anna Vulpetti(6), Philip G. E. Craven(5), A. Aimon(5), Mark Dow(5), Richard Foster(5), Rachel Guilleux(4), Christian Krämer(3), Didier Roche(3), George Karageorgis(3), Martin Ohsten Rasmussen(3), Anthony Willaume(3), Peter Gedeck(2), Heikki S. Salo(2), Maija Lahtela‐Kakkonen(2), Nicolas Fleury‐Brégeot(2), Suleiman A. Khan(2)