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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Tuomo Kalliokoski

3 results in Authors: Tuomo Kalliokoski

Theoretical and Computational Chemistry

Machine Learning Boosted Docking (HASTEN): An Open-Source Tool To Accelerate Structure-based Virtual Screening Campaigns

Tuomo Kalliokoski

Version 2 posted 01 April 2021

504

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Theoretical and Computational Chemistry

Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries

Toni Sivula, Laxman Yetukuri, Tuomo Kalliokoski, Heikki Käsnänen, Antti Poso, Ina Pöhner

Version 2 posted 07 August 2023

513

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1

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Biological and Medicinal Chemistry

SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries

Tuomo Kalliokoski, Ainoleena Turku, Heikki Käsnänen

Version 1 posted 01 October 2024

239

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