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Journal of Medicinal Chemistry
|
June 10, 2005
BRUTUS: optimization of a grid-based similarity function for rigid-body molecular superposition. 1. Alignment and virtual screening applications
Anu J Tervo, Toni Rönkkö, Tommi H Nyrönen, et al.
Journal of Chemical Information and Modeling
|
November 26, 2009
The effect of ligand-based tautomer and protomer prediction on structure-based virtual screening
Tuomo Kalliokoski, Heikki S Salo, Maija Lahtela-Kakkonen, et al.
Journal of Computer-Aided Molecular Design
|
May 6, 2004
A structure-activity relationship study of catechol-O-methyltransferase inhibitors combining molecular docking and 3D QSAR methods
Anu J Tervo, Tommi H Nyrönen, Toni Rönkkö, et al.
Journal of Chemical Information and Computer Sciences
|
May 25, 2004
Comparing the quality and predictiveness between 3D QSAR models obtained from manual and automated alignment
Anu J Tervo, Tommi H Nyrönen, Toni Rönkkö, et al.
Journal of Pineal Research
|
June 28, 2005
The functional role of cysteines adjacent to the NRY motif of the human MT1 melatonin receptor
Tarja Kokkola, Outi M H Salo, Antti Poso, et al.
Journal of Chemical Information and Modeling
|
October 31, 2019
Deep Transferable Compound Representation across Domains and Tasks for Low Data Drug Discovery
Karim Abbasi, Antti Poso, Jahanbakhsh Ghasemi, et al.
Journal of Medicinal Chemistry
|
January 22, 2005
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme
Minna Rahnasto, Hannu Raunio, Antti Poso, et al.
Journal of Medicinal Chemistry
|
October 17, 2003
Molecular determinants of steroid inhibition for the mouse constitutive androstane receptor
Johanna Jyrkkärinne, Janne Mäkinen, Jukka Gynther, et al.
International Journal of Molecular Sciences
|
July 2, 2021
Docking-Based 3D-QSAR Studies for 1,3,4-oxadiazol-2-one Derivatives as FAAH Inhibitors
Agata Zięba, Tuomo Laitinen, Jayendra Z Patel, et al.
Journal of Chemical Information and Modeling
|
September 1, 2023
Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries
Toni Sivula, Laxman Yetukuri, Tuomo Kalliokoski, et al.
Page
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Search research articles
Search
Showing results (21-30 of 210) with videos related to
Sort By:
Page
of 21
Journal of Medicinal Chemistry
|
June 10, 2005
BRUTUS: optimization of a grid-based similarity function for rigid-body molecular superposition. 1. Alignment and virtual screening applications
Anu J Tervo, Toni Rönkkö, Tommi H Nyrönen, et al.
Journal of Chemical Information and Modeling
|
November 26, 2009
The effect of ligand-based tautomer and protomer prediction on structure-based virtual screening
Tuomo Kalliokoski, Heikki S Salo, Maija Lahtela-Kakkonen, et al.
Journal of Computer-Aided Molecular Design
|
May 6, 2004
A structure-activity relationship study of catechol-O-methyltransferase inhibitors combining molecular docking and 3D QSAR methods
Anu J Tervo, Tommi H Nyrönen, Toni Rönkkö, et al.
Journal of Chemical Information and Computer Sciences
|
May 25, 2004
Comparing the quality and predictiveness between 3D QSAR models obtained from manual and automated alignment
Anu J Tervo, Tommi H Nyrönen, Toni Rönkkö, et al.
Journal of Pineal Research
|
June 28, 2005
The functional role of cysteines adjacent to the NRY motif of the human MT1 melatonin receptor
Tarja Kokkola, Outi M H Salo, Antti Poso, et al.
Journal of Chemical Information and Modeling
|
October 31, 2019
Deep Transferable Compound Representation across Domains and Tasks for Low Data Drug Discovery
Karim Abbasi, Antti Poso, Jahanbakhsh Ghasemi, et al.
Journal of Medicinal Chemistry
|
January 22, 2005
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme
Minna Rahnasto, Hannu Raunio, Antti Poso, et al.
Journal of Medicinal Chemistry
|
October 17, 2003
Molecular determinants of steroid inhibition for the mouse constitutive androstane receptor
Johanna Jyrkkärinne, Janne Mäkinen, Jukka Gynther, et al.
International Journal of Molecular Sciences
|
July 2, 2021
Docking-Based 3D-QSAR Studies for 1,3,4-oxadiazol-2-one Derivatives as FAAH Inhibitors
Agata Zięba, Tuomo Laitinen, Jayendra Z Patel, et al.
Journal of Chemical Information and Modeling
|
September 1, 2023
Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries
Toni Sivula, Laxman Yetukuri, Tuomo Kalliokoski, et al.
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of 21