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Chemosphere
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April 11, 2003
NMR and molecular modeling in environmental chemistry: prediction of 13C chemical shifts in selected C10-chloroterpenes employing DFT/GIAO theory
Kari Tuppurainen, Juhani Ruuskanen
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
Spectroscopic QSAR methods and self-organizing molecular field analysis for relating molecular structure and estrogenic activity
Arja Asikainen, Juhani Ruuskanen, Kari Tuppurainen
Journal of Computer-Aided Molecular Design
|
September 17, 2004
Ligand intramolecular motions in ligand-protein interaction: ALPHA, a novel dynamic descriptor and a QSAR study with extended steroid benchmark dataset
Kari Tuppurainen, Marja Viisas, Mikael Peräkylä, et al.
Accounts of Chemical Research
|
September 17, 2003
Perspectives on the formation of polychlorinated dibenzo-p-dioxins and dibenzofurans during municipal solid waste (MSW) incineration and other combustion processes
Kari Tuppurainen, Arja Asikainen, Päivi Ruokojärvi, et al.
Chemosphere
|
July 5, 2005
Structure-based classification of active and inactive estrogenic compounds by decision tree, LVQ and kNN methods
Arja Asikainen, Mikko Kolehmainen, Juhani Ruuskanen, et al.
Journal of Chemical Information and Computer Sciences
|
June 28, 2002
Evaluation of a novel electronic eigenvalue (EEVA) molecular descriptor for QSAR/QSPR studies: validation using a benchmark steroid data set
Kari Tuppurainen, Marja Viisas, Reino Laatikainen, et al.
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
FLUFF-BALL, a template-based grid-independent superposition and QSAR technique: validation using a benchmark steroid data set
Samuli-Petrus Korhonen, Kari Tuppurainen, Reino Laatikainen, et al.
Journal of Chemical Information and Modeling
|
November 29, 2005
Comparing the performance of FLUFF-BALL to SEAL-CoMFA with a large diverse estrogen data set: from relevant superpositions to solid predictions
Samuli-Petrus Korhonen, Kari Tuppurainen, Reino Laatikainen, et al.
Journal of Biomolecular NMR
|
February 9, 2012
Combining NMR ensembles and molecular dynamics simulations provides more realistic models of protein structures in solution and leads to better chemical shift prediction
Juuso Lehtivarjo, Kari Tuppurainen, Tommi Hassinen, et al.
Metabolomics : Official Journal of the Metabolomic Society
|
June 5, 2012
NMR protocol for determination of oxidation susceptibility of serum lipids and application of the protocol to a chocolate study
Tuulia Tynkkynen, Jaakko Mursu, Tarja Nurmi, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Chemosphere
|
April 11, 2003
NMR and molecular modeling in environmental chemistry: prediction of 13C chemical shifts in selected C10-chloroterpenes employing DFT/GIAO theory
Kari Tuppurainen, Juhani Ruuskanen
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
Spectroscopic QSAR methods and self-organizing molecular field analysis for relating molecular structure and estrogenic activity
Arja Asikainen, Juhani Ruuskanen, Kari Tuppurainen
Journal of Computer-Aided Molecular Design
|
September 17, 2004
Ligand intramolecular motions in ligand-protein interaction: ALPHA, a novel dynamic descriptor and a QSAR study with extended steroid benchmark dataset
Kari Tuppurainen, Marja Viisas, Mikael Peräkylä, et al.
Accounts of Chemical Research
|
September 17, 2003
Perspectives on the formation of polychlorinated dibenzo-p-dioxins and dibenzofurans during municipal solid waste (MSW) incineration and other combustion processes
Kari Tuppurainen, Arja Asikainen, Päivi Ruokojärvi, et al.
Chemosphere
|
July 5, 2005
Structure-based classification of active and inactive estrogenic compounds by decision tree, LVQ and kNN methods
Arja Asikainen, Mikko Kolehmainen, Juhani Ruuskanen, et al.
Journal of Chemical Information and Computer Sciences
|
June 28, 2002
Evaluation of a novel electronic eigenvalue (EEVA) molecular descriptor for QSAR/QSPR studies: validation using a benchmark steroid data set
Kari Tuppurainen, Marja Viisas, Reino Laatikainen, et al.
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
FLUFF-BALL, a template-based grid-independent superposition and QSAR technique: validation using a benchmark steroid data set
Samuli-Petrus Korhonen, Kari Tuppurainen, Reino Laatikainen, et al.
Journal of Chemical Information and Modeling
|
November 29, 2005
Comparing the performance of FLUFF-BALL to SEAL-CoMFA with a large diverse estrogen data set: from relevant superpositions to solid predictions
Samuli-Petrus Korhonen, Kari Tuppurainen, Reino Laatikainen, et al.
Journal of Biomolecular NMR
|
February 9, 2012
Combining NMR ensembles and molecular dynamics simulations provides more realistic models of protein structures in solution and leads to better chemical shift prediction
Juuso Lehtivarjo, Kari Tuppurainen, Tommi Hassinen, et al.
Metabolomics : Official Journal of the Metabolomic Society
|
June 5, 2012
NMR protocol for determination of oxidation susceptibility of serum lipids and application of the protocol to a chocolate study
Tuulia Tynkkynen, Jaakko Mursu, Tarja Nurmi, et al.
Page
of 2