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Molecular Informatics
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June 1, 2021
Machine Learning Boosted Docking (HASTEN): An Open-source Tool To Accelerate Structure-based Virtual Screening Campaigns
Tuomo Kalliokoski
ACS Combinatorial Science
|
September 16, 2015
Price-Focused Analysis of Commercially Available Building Blocks for Combinatorial Library Synthesis
Tuomo Kalliokoski
Tree Physiology
|
October 30, 2010
The effect of tree architecture on conduit diameter and frequency from small distal roots to branch tips in Betula pendula, Picea abies and Pinus sylvestris
Anna Lintunen, Tuomo Kalliokoski
Molecular Informatics
|
May 10, 2019
Predicting pK<sub>a</sub> for Small Molecules on Public and In-house Datasets Using Fast Prediction Methods Combined with Data Fusion
Tuomo Kalliokoski, Kai Sinervo
Molecular Informatics
|
July 29, 2016
Large-Scale Evaluation of CavBase for Analyzing the Polypharmacology of Kinase Inhibitors
Tuomo Kalliokoski, Anna Vulpetti
Future Medicinal Chemistry
|
October 24, 2012
Chemogenomics in drug discovery: computational methods based on the comparison of binding sites
Anna Vulpetti, Tuomo Kalliokoski, Francesca Milletti
Journal of Chemical Information and Modeling
|
May 21, 2008
FieldChopper, a new tool for automatic model generation and virtual screening based on molecular fields
Tuomo Kalliokoski, Toni Ronkko, Antti Poso
Molecular Informatics
|
August 3, 2016
Quality Issues with Public Domain Chemogenomics Data
Tuomo Kalliokoski, Christian Kramer, Anna Vulpetti
Journal of Chemical Information and Modeling
|
December 23, 2024
SpaceHASTEN: A Structure-Based Virtual Screening Tool for Nonenumerated Virtual Chemical Libraries
Tuomo Kalliokoski, Ainoleena Turku, Heikki Käsnänen
Molecular Informatics
|
July 28, 2016
Increasing the Throughput of Shape-Based Virtual Screening with GPU Processing and Single Conformation Databases
Tuomo Kalliokoski, Toni P Ronkko, Antti Poso
Page
of 4
Search research articles
Search
Showing results (1-10 of 31) with videos related to
Sort By:
Page
of 4
Molecular Informatics
|
June 1, 2021
Machine Learning Boosted Docking (HASTEN): An Open-source Tool To Accelerate Structure-based Virtual Screening Campaigns
Tuomo Kalliokoski
ACS Combinatorial Science
|
September 16, 2015
Price-Focused Analysis of Commercially Available Building Blocks for Combinatorial Library Synthesis
Tuomo Kalliokoski
Tree Physiology
|
October 30, 2010
The effect of tree architecture on conduit diameter and frequency from small distal roots to branch tips in Betula pendula, Picea abies and Pinus sylvestris
Anna Lintunen, Tuomo Kalliokoski
Molecular Informatics
|
May 10, 2019
Predicting pK<sub>a</sub> for Small Molecules on Public and In-house Datasets Using Fast Prediction Methods Combined with Data Fusion
Tuomo Kalliokoski, Kai Sinervo
Molecular Informatics
|
July 29, 2016
Large-Scale Evaluation of CavBase for Analyzing the Polypharmacology of Kinase Inhibitors
Tuomo Kalliokoski, Anna Vulpetti
Future Medicinal Chemistry
|
October 24, 2012
Chemogenomics in drug discovery: computational methods based on the comparison of binding sites
Anna Vulpetti, Tuomo Kalliokoski, Francesca Milletti
Journal of Chemical Information and Modeling
|
May 21, 2008
FieldChopper, a new tool for automatic model generation and virtual screening based on molecular fields
Tuomo Kalliokoski, Toni Ronkko, Antti Poso
Molecular Informatics
|
August 3, 2016
Quality Issues with Public Domain Chemogenomics Data
Tuomo Kalliokoski, Christian Kramer, Anna Vulpetti
Journal of Chemical Information and Modeling
|
December 23, 2024
SpaceHASTEN: A Structure-Based Virtual Screening Tool for Nonenumerated Virtual Chemical Libraries
Tuomo Kalliokoski, Ainoleena Turku, Heikki Käsnänen
Molecular Informatics
|
July 28, 2016
Increasing the Throughput of Shape-Based Virtual Screening with GPU Processing and Single Conformation Databases
Tuomo Kalliokoski, Toni P Ronkko, Antti Poso
Page
of 4