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Olen nõus

Kaido Tämm

https://www.etis.ee/CV/Kaido_Tämm/est
28.04.1975
+3725213075
karu@ut.ee
Google Scholar: https://scholar.google.com/citations?hl=en&user=UH4diCEAAAAJ

Teenistuskäik

Töökohad ja ametid
2006–...   
Tartu Ülikool, Füüsika-keemiateaduskond, Keemilise füüsika instituut, Keemilise füüsika õppetool, Teadur (1,00)
01.02.2012–31.03.2012   
Florida Ülikool, Projektijuht (0,50)
01.12.2006–09.09.2012   
MolCode AS, Teadusprojekti juht/Administratiivne juht (0,80)
2002–2003   
Florida Ülikool, USA, teadur (1,00)
 
 
Haridustee
2001–2006   
Doktorantuur, Taru Ülikool, Keemilise füüsika Instituut
1999–2001   
Magistrantuur, Taru Ülikool, Keemilise füüsika Instituut

Kvalifikatsioon

Teaduskraadid
Kaido Tämm, doktorikraad, 2006, (juh) Peeter Burk, QSPR Modeling of Some Properties of Organic Compounds, Tartu Ülikool, Füüsika-keemiateaduskond, Keemilise füüsika instituut.
Kaido Tämm, magistrikraad (teaduskraad), 2001, (juh) Peeter Burk; Uldo Mölder, The Study of Tautomeric Equilibria of Sulfur and Phosphorus Compounds, Tartu Ülikool, Füüsika-keemiateaduskond, Keemilise füüsika instituut.
 
 
Teadustöö põhisuunad
ETIS KLASSIFIKAATOR: 4. Loodusteadused ja tehnika; 4.11. Keemia ja keemiatehnika; TÄPSUSTUS: Keemiliste protsesside kvantkeemiline modelleerimine, QSPR/QSAR analüüsid

Jooksvad projektid

Lõppenud projektid

Juhendatud väitekirjad

Publikatsioonid

Klass
Aasta
Publikatsioon
 
1.1.
2020
Burk, Jaanus; Adamson, Aiko; Sikk, Lauri; Tämm, Kaido; Pupart, Anni; Burk, Peeter (2020). DFT study of 2,9-bis(1,2,4-triazin-3-yl)-1,10-phenanthroline (BTPhen) and its derivatives complexation with lanthanide series. Computational and Theoretical Chemistry, 1175, 112729. DOI: 10.1016/j.comptc.2020.112729.
1.1.
2020
Liiv, J.; Zekker, Ivar; Zekker; Tämm, K., Rikmann, E. (2020). Greenhouse gases emissions and climate change - beyond mainstream. MOJ Bioorganic & Organic Chemistry, 4 (1), 11−16. DOI: 10.15406/mojboc.2020.04.00104.
1.1.
2020
Afantitis, Antreas; Melagraki, Georgia; Isigonis, Panagiotis; Tsoumanis, Andreas; Varsou, Dimitra Danai; Valsami-Jones, Eugenia; Papadiamantis, Anastasios; Ellis, Laura-Jayne A.; Sarimveis, Haralambos; Doganis, Philip; Karatzas, Pantelis; Tsiros, Periklis; Liampa, Irene; Lobaskin, Vladimir; Greco, Dario; Serra, Angela; Kinaret, Pia Anneli Sofia; Saarimäki, Laura Aliisa; Grafström, Roland; Kohonen, Pekka ... Lynch, Iseult (2020). NanoSolveIT Project: Driving Nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment. Computational and Structural Biotechnology Journal, 18, 583−602. DOI: 10.1016/j.csbj.2020.02.023.
1.1.
2020
Zekker, Ivar; Bhowmick, Gourav Dhar; Priks, Hans; Nath, Dibyojyoty; Rikmann, Ergo; Jaagura, Madis; Tenno, Taavo; Tämm, Kaido; Ghangrekar, Makarand Madhao (2020). ANAMMOX-denitrification biomass in microbial fuel cell to enhance the electricity generation and nitrogen removal efficiency. Biodegradation, XX, XX−XX. DOI: 10.1007/s10532-020-09907-w.
1.1.
2020
Papadiamantis, Anastasios G.; Jänes, Jaak; Voyiatzis, Evangelos; Sikk, Lauri; Burk, Jaanus; Burk, Peeter; Tsoumanis, Andreas; Ha, My Kieu; Yoon, Tae Hyun; Valsami-Jones, Eugenia; Lynch, Iseult; Melagraki, Georgia; Tämm, Kaido; Afantitis, Antreas (2020). Predicting cytotoxicity of metal oxide nanoparticles using Isalos Analytics platform. Nanomaterials, 10. DOI: 10.3390/nano10102017.
1.1.
2020
Iseult Lynch, Antreas Afantitis, Thomas Exner, Martin Himly, Vladimir Lobaskin, Philip Doganis, Dieter Maier, Natasha Sanabria, Anastasios G. Papadiamantis, Anna Rybinska-Fryca, Maciej Gromelski, Egon Willighagen, Blair D. Johnston, Mary Gulumian, Marianne Matzke, Amaia Green Etxabe, Nathan Bosse, Angela Serra, Irini Liampa, Stacey Harper, Kaido Tämm, Alexander CØ Jensen, Pekka Kohonen, Luke Slater, Dario Greco, Tomasz Puzyn, Dave Winkler, Haralambos Sarimveis, Georgia Melagraki (2020). Can an InChI for nano address the need for a simplified representation of complex nanomaterials across experimental and nanoinformatics studies? Nanomaterials, 10, 2493. DOI: 10.3390/nano10122493.
5.2.
2019
Kallip, S.; Oliveira, M.P.; Bastos, AC.; Sikk, L.; Tämm, K. (2019). Inhibition of galvanic corrosion by synergistic corrosion inhibitor combinations. EUROCORR 2019, September 9 – 13, 2019, Sevilla, Spain.. DECHEMA, Gesellschaft für Chemische Technik und Biotechnologie.
1.1.
2018
Luhaste, Liisa; Tämm, Kaido; Sikk, Lauri; Pupart, Anni; Toomsalu, Eve; Burk, Peeter (2018). Comparison of prominent methods for computational studies of lanthanoid cation complexation. Proceedings of the Estonian Academy of Sciences, 67 (1), 106−113. DOI: 10.3176/proc.2018.1.06.
1.1.
2018
Burk, J.; Sikk, L.; Burk, P.; Manshian, B.; Soenen, S. J.; Scott-Fordsmand, J. J.; Tamm, T.; Tämm, K. (2018). Fe-doped ZnO nanoparticle toxicity: assessment by a new generation of nanodescriptors. Nanoscale, 10, 21985−21993. DOI: 10.1039/C8NR05220D.
1.1.
2017
Toots, Mart; Ustav, Mart Jr.; Männik, Andres; Mumm, Karl; Tämm, Kaido; Tamm, Tarmo; Ustav, Ene; Ustav, Mart. (2017). Identification of several high-risk HPV inhibitors and drug targets with a novel high-throughput screening assay. PLoS Pathogens, 13 (2), e1006168. DOI: 10.1371/journal.ppat.1006168.
1.1.
2017
Manshian, Bella B.; Pokhrel, Suman; Himmelreich, Uwe; Tämm, Kaido; Sikk, Lauri; Fernández, Alberto; Rallo, Robert; Tamm, Tarmo; Mädler, Lutz; Soenen, Stefaan J. (2017). In Silico Design of Optimal Dissolution Kinetics of Fe-Doped ZnO Nanoparticles Results in Cancer-Specific Toxicity in a Preclinical Rodent Model. Advanced Healthcare Materials, 1601379. DOI: 10.1002/adhm.201601379.
3.1.
2017
Brehm, Martin; Kafka, Alexander; Bamler, Markus; Kühne, Ralph; Schüürmann, Gerrit; Sikk, Lauri; Burk, Jaanus; Burk, Peeter; Tamm, Tarmo; Tämm, Kaido; Pokhrel, Suman; Mädler, Lutz; Kahru, Anne; Aruoja, Villem; Sihtmäe, Mariliis; Scott-Fordsmand, Janeck; Sorensen, Peter B.; Escorihuela, Laura; Roca, Carlos P.; Fernández, Alberto ... (2017). An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project. In: Lang Tran, Miguel A. Bañares, Robert Rallo (Ed.). Modelling the Toxicity of Nanoparticles (257−301). springer Link.
1.1.
2016
Pillai, G.G.; Mederos, L.; Panda, C.S.; Gronski, A.; Burk, P.; Hall, C.D.; Katritzky, A.R.; Tämm, K.; Karelson, M. (2016). Robust Modeling and Scaffold Hopping: Case Study based on HIV Reverse Transcriptase Inhibitors Type-1 Data. Medicinal Chemistry, 16 (2), 513−526. DOI: 10.2174/1573406411666151005110141.
1.1.
2016
Tämm, K.; Sikk, L.; Burk, J.; Rallo, R.; Pokhrel, S.; Mädler, L.; Scott-Fordsmand, J.J.; Burk, P.; Tamm, T. (2016).

Parametrization of nanoparticles: development of full-particle nanodescriptors

. Nanoscale, 8, 16243−16250. DOI: 10.1039/C6NR04376C.
1.1.
2016
Kalvet, I.; Tammiku-Taul, J.; Mäeorg, U.; Tämm, K.; Burk, P.; Sikk, L. (2016). NMR and DFT Study of the Copper(I)-Catalyzed Cycloaddition Reaction: H/D Scrambling of Alkynes and Variable Reaction Order of the Catalyst. ChemCatChem, 8 (10), 1804−1808. DOI: 10.1002/cctc.201600176.
1.1.
2015
Pillai, Girinath G.; Sikk, Lauri; Tamm, Tarmo; Karelson, Mati; Burk, Peeter; Tamm, Kaido. (2015). Theoretical Modeling of HPV: QSAR and Novodesign with Fragment Approach. Current Computer Aided-Drug Design, 10 (4), 303−314. DOI: 10.2174/1574886309666141126145756.
1.1.
2015
Kipper, Andi; Kalvet, Indrek; Tämm, Kaido; Sikk, Lauri; Burk, Peeter; Kõiv, Kuldar; Mäeorg, Uno (2015). Synthesis of Unprotected CH2-Skipped Piperazine-Pyridine Alternating Cycles with Azide End-Group. Heterocycles, 90 (1), 625−630. DOI: 10.3987/COM-14-S(K)12.
1.1.
2015
Ibrahim, M.A.; Panda, S.S.; Oliferenko, A.; Oliferenko, P.V.; Girgis, A., Elagawany, M.; Küçükbay, F.Z.; Panda, C.S.; Pillai, G.G.; Samir, A.; Tämm, K.; Hall, C.D.; Katritzky, A.R. (2015). Macrocyclic peptidomimetics with antimicrobial activity: synthesis, bioassay, and molecular modeling studies. Organic & Biomolecular Chemistry, 13 (36), 9492−9503.10.1039/c5ob01400j.
1.1.
2013
Dobchev, D. A.; Tulp, I.; Karelson, G.; Tamm, T.; Tämm, K.; Karelson, M. (2013). Subchronic Oral and Inhalation Toxicities: a Challenging Attempt for Modeling and Prediction. Molecular Informatics, 32, 793−801.10.1002/minf.201300033.
1.1.
2013
Tämm, K.; Mayeux, C.; Sikk, L.; Gal, J-F.; Burk, P. (2013). Theoretical modeling of sensitivity factors of Bayard-Alpert ionization gauges. International Journal of Mass Spectrometry, 341, 52−58. DOI: 10.1016/j.ijms.2013.02.014.
1.1.
2012
Karelson, M.; Dobchev, D.A.; Karelson, G.; Tamm, T.; Tämm, K.; Nikonov, A.; Mutso, M.; Merits, A. (2012). Fragment-based development of HCV protease inhibitors for the treatment of hepatitis C. Current Computer - Aided Drug Design, 8 (1), 55−61.10.2174/157340912799218516.
1.1.
2011
Katritzky, A.R.; Stoyanova-Slavova, I.B.; Tämm, K.; Tamm, T.; Karelson, M. (2011). Application of the QSPR Approach to the Boiling Points of Azeotropes. Journal of Physical Chemistry A, 115 (15), 3475−3479.10.1021/jp104287p.
1.1.
2010
Dobchev, D. A.; Mäger, I.; Tulp, I.; Karelson, G.; Tamm, T.; Tämm, T.; Jänes, J.; Langel, Ü.; Karelson, M. (2010). Prediction of Cell-Penetrating Peptides Using Artificial Neural Networks. Current Computer - Aided Drug Design, 6 (2), 79−89.
1.1.
2010
Katritzky, A.R.; Kasemets, K.; Slavov, S.; Radzvilovits, M.; Tämm, K.; Karelson, M. (2010). Estimating the toxicities of organic chemicals in activated sludge process. Water Research, 44 (8), 2451−2460.10.1016/j.watres.2010.01.009.
1.2.
2010
Katritzky, A.R.; Radzvilovits, M.; Slavov, S.; Kasemets, K.; Tamm, K.; Karelson, M. (2010). Quantitative structure-activity relationship modeling of bioconcentration factors of polychlorinated biphenyls. Toxicological and Environmental Chemistry, 92 (7), 1233−1247.
1.1.
2009
Karelson, M.; Karelson, G.; Tamm, T.; Tulp, I.; Jänes, J.; Tämm, K.; Lomaka, A.; Savchenko, D.; Dobchev, D.A. (2009). QSAR study of pharmacological permeabilities. Arkivoc, 2, 218−238.
1.1.
2008
Karelson, M; Dobchev, D; Tamm, T; Tulp, I; Jänes, J; Tämm, K; Lomaka, A; Savchenko, D; Karelson, G (2008). Correlation of Blood-Brain Penetration and Human Serum Albumin Binding with Theoretical Descriptors. Arkivoc, xvi, 38−60.
5.2.
2007
Burk, P.; Koppel, I.A.;Leito, I.;Tämm, K. (2007). The limits of growth for superacidity and superbasicity of neutral Bronsted acids and bases. Book of Abstracts ESOR XI: XI European Symposium on Organic Reactivity,Faro,Portugal,July 1st-6th,2007. , 109.
1.1.
2006
Katritzky, A. R.; Dobchev, D. A.; Fara, D. C.; Hur, E.; Tämm, K.; Kurunczi, L.; Karelson, M.; Varnek, A.; Solov'ev, V. P. (2006). Skin Permeation Rate as a Function of Chemical Structure. Journal of Medicinal Chemistry, 49 (11), 3305−3314. DOI: 10.1021/jm051031d.
1.1.
2006
Tämm, K.; Burk, P. (2006). QSPR Analysis for Infinite Dilution Activity Coefficients of Organic Compounds. Journal of Molecular Modeling, 12 (4), 417−421.
5.2.
2006
Tulp, I.; Tämm, K.; Burk, P.; Trummal, A.; Koppel, I.A.; Karelson, M.; Maran, U. (2006). The quantum chemical modeling of solvent effect in the QSPR analysis of pKa of phenols in the H2O and DMSO. The 12th International Workshop on Quantitative Structure-Activity Relationships in Environmental Toxicology; 2006; France.
1.1.
2004
Katritzky, A.R.; Tämm, K.; Kuanar, M.; Fara, D.C.; Oliferenko, A.; Oliferenko, P.; Huddleston, J.G.; Rogers, R.D. (2004). Aqueous Biphasic Systems. Partitioning of Organic Molecules: A QSPR Treatment. Journal of Chemical Information and Computer Sciences, 44 (1), 136−142.
1.1.
2004
Katritzky, AR.; Fara, DC.; Yang, HF.; Tamm, K.; Tamm, T.; Karelson, M. (2004). Quantitative measures of solvent polarity. Chemical Reviews, 104 (1), 175−198.
1.1.
2004
Tämm, K.; Fara, DC.; Katritzky, AR.; Burk, P.; Karelson, M. (2004). A quantitative structure-property relationship study of lithium cation basicities. Journal of Physical Chemistry A, 108 (21), 4812−4818.
1.2.
2001
Burk, P.; Mölder, U.; Tämm, K. (2001). Gas-Phase Basicities and Proton Affinities of Alkali Metal Oxides and Hydroxides. A Theoretical Study. Proceedings of the Estonian Academy of Sciences. Chemistry, 50 (4), 241−253.
3.03.2021

Kaido Tämm

https://www.etis.ee/CV/Kaido_Tämm/eng
28.04.1975
+3725213075
karu@ut.ee
http://cc.ut.ee
A-6505-2013
Dr. Kaido Tämm (male), received his PhD on 2006 from the University of Tartu. Part of his theses was carried out at the University of Florida (2002-2003, prof. Alan R. Katritzky† group). Starting from 2006, he is working as a lead research fellow and project manager at the Univ. of Tartu, Chair of Chemical Physics. His main scientific interests are related to material modelling, design and modelling of new drug candidates and their activities, computational studies and novodesign of cosmetics, repellents, nanochemistry (nanodescriptors, characterization, nanoinformatics, nanomedicine), software development and consulting the companies on technology transfer and regulatory affairs. Dr. Tämm co-authored more than 50+ peer reviewed publications and reports, including EU Joint Research Centre (JRC) published QSAR Model Reporting Formats (QMRF) within the context of the REACH Regulation. These reports are aimed to decrease the hazardous tests on chemicals by replacing them with computational modeling. Dr. Tämm is a former member of OECD ad hoc group on QSARs. His recent scientific work is focused in development of full particle nanodescriptors for advanced in silico modeling of nanotoxicities and human health endpoints, potential drug candidates,. Dr. Tämm has supervised 1 PhD, 2 MSc and 2 BSc students.

Career

Institutions and positions
2006–...   
University of Tartu, Faculty of Physics and Chemistry, Institute of Chemical Physics, Chair of Chemical Physics, Researcher (1,00)
01.02.2012–31.03.2012   
University of Florida, (Scientific) project manager (0,50)
01.12.2006–09.09.2012   
MolCode, Other staff (R&D) (0,80)
2002–2003   
University of Florida, USA, reseacher (1,00)
 
 
Education
2001–2006   
Ph.D student, Institute of Chemical Physics, University of Tartu
1999–2001   
M.Sc student, Institute of Chemical Physics, University of Tartu

Qualifications

Academic degrees
Kaido Tämm, Doctor's Degree, 2006, (sup) Peeter Burk, QSPR Modeling of Some Properties of Organic Compounds (QSPR Modeling of Some Properties of Organic Compounds), University of Tartu, Faculty of Physics and Chemistry, Institute of Chemical Physics.
Kaido Tämm, Research Master's Degree, 2001, (sup) Peeter Burk; Uldo Mölder, The Study of Tautomeric Equilibria of Sulfur and Phosphorus Compounds (The Study of Tautomeric Equilibria of Sulfur and Phosphorus Compounds), University of Tartu, Faculty of Physics and Chemistry, Institute of Chemical Physics.
 
 
Fields of research
ETIS CLASSIFICATION: 4. Natural Sciences and Engineering; 4.11. Chemistry and Chemical Technology
 
 

Projects in progress

Completed projects

Supervised dissertations

Publications

Category
Year
Publication
 
1.1.
2020
Burk, Jaanus; Adamson, Aiko; Sikk, Lauri; Tämm, Kaido; Pupart, Anni; Burk, Peeter (2020). DFT study of 2,9-bis(1,2,4-triazin-3-yl)-1,10-phenanthroline (BTPhen) and its derivatives complexation with lanthanide series. Computational and Theoretical Chemistry, 1175, 112729. DOI: 10.1016/j.comptc.2020.112729.
1.1.
2020
Liiv, J.; Zekker, Ivar; Zekker; Tämm, K., Rikmann, E. (2020). Greenhouse gases emissions and climate change - beyond mainstream. MOJ Bioorganic & Organic Chemistry, 4 (1), 11−16. DOI: 10.15406/mojboc.2020.04.00104.
1.1.
2020
Afantitis, Antreas; Melagraki, Georgia; Isigonis, Panagiotis; Tsoumanis, Andreas; Varsou, Dimitra Danai; Valsami-Jones, Eugenia; Papadiamantis, Anastasios; Ellis, Laura-Jayne A.; Sarimveis, Haralambos; Doganis, Philip; Karatzas, Pantelis; Tsiros, Periklis; Liampa, Irene; Lobaskin, Vladimir; Greco, Dario; Serra, Angela; Kinaret, Pia Anneli Sofia; Saarimäki, Laura Aliisa; Grafström, Roland; Kohonen, Pekka ... Lynch, Iseult (2020). NanoSolveIT Project: Driving Nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment. Computational and Structural Biotechnology Journal, 18, 583−602. DOI: 10.1016/j.csbj.2020.02.023.
1.1.
2020
Zekker, Ivar; Bhowmick, Gourav Dhar; Priks, Hans; Nath, Dibyojyoty; Rikmann, Ergo; Jaagura, Madis; Tenno, Taavo; Tämm, Kaido; Ghangrekar, Makarand Madhao (2020). ANAMMOX-denitrification biomass in microbial fuel cell to enhance the electricity generation and nitrogen removal efficiency. Biodegradation, XX, XX−XX. DOI: 10.1007/s10532-020-09907-w.
1.1.
2020
Papadiamantis, Anastasios G.; Jänes, Jaak; Voyiatzis, Evangelos; Sikk, Lauri; Burk, Jaanus; Burk, Peeter; Tsoumanis, Andreas; Ha, My Kieu; Yoon, Tae Hyun; Valsami-Jones, Eugenia; Lynch, Iseult; Melagraki, Georgia; Tämm, Kaido; Afantitis, Antreas (2020). Predicting cytotoxicity of metal oxide nanoparticles using Isalos Analytics platform. Nanomaterials, 10. DOI: 10.3390/nano10102017.
1.1.
2020
Iseult Lynch, Antreas Afantitis, Thomas Exner, Martin Himly, Vladimir Lobaskin, Philip Doganis, Dieter Maier, Natasha Sanabria, Anastasios G. Papadiamantis, Anna Rybinska-Fryca, Maciej Gromelski, Egon Willighagen, Blair D. Johnston, Mary Gulumian, Marianne Matzke, Amaia Green Etxabe, Nathan Bosse, Angela Serra, Irini Liampa, Stacey Harper, Kaido Tämm, Alexander CØ Jensen, Pekka Kohonen, Luke Slater, Dario Greco, Tomasz Puzyn, Dave Winkler, Haralambos Sarimveis, Georgia Melagraki (2020). Can an InChI for nano address the need for a simplified representation of complex nanomaterials across experimental and nanoinformatics studies? Nanomaterials, 10, 2493. DOI: 10.3390/nano10122493.
5.2.
2019
Kallip, S.; Oliveira, M.P.; Bastos, AC.; Sikk, L.; Tämm, K. (2019). Inhibition of galvanic corrosion by synergistic corrosion inhibitor combinations. EUROCORR 2019, September 9 – 13, 2019, Sevilla, Spain.. DECHEMA, Gesellschaft für Chemische Technik und Biotechnologie.
1.1.
2018
Luhaste, Liisa; Tämm, Kaido; Sikk, Lauri; Pupart, Anni; Toomsalu, Eve; Burk, Peeter (2018). Comparison of prominent methods for computational studies of lanthanoid cation complexation. Proceedings of the Estonian Academy of Sciences, 67 (1), 106−113. DOI: 10.3176/proc.2018.1.06.
1.1.
2018
Burk, J.; Sikk, L.; Burk, P.; Manshian, B.; Soenen, S. J.; Scott-Fordsmand, J. J.; Tamm, T.; Tämm, K. (2018). Fe-doped ZnO nanoparticle toxicity: assessment by a new generation of nanodescriptors. Nanoscale, 10, 21985−21993. DOI: 10.1039/C8NR05220D.
1.1.
2017
Toots, Mart; Ustav, Mart Jr.; Männik, Andres; Mumm, Karl; Tämm, Kaido; Tamm, Tarmo; Ustav, Ene; Ustav, Mart. (2017). Identification of several high-risk HPV inhibitors and drug targets with a novel high-throughput screening assay. PLoS Pathogens, 13 (2), e1006168. DOI: 10.1371/journal.ppat.1006168.
1.1.
2017
Manshian, Bella B.; Pokhrel, Suman; Himmelreich, Uwe; Tämm, Kaido; Sikk, Lauri; Fernández, Alberto; Rallo, Robert; Tamm, Tarmo; Mädler, Lutz; Soenen, Stefaan J. (2017). In Silico Design of Optimal Dissolution Kinetics of Fe-Doped ZnO Nanoparticles Results in Cancer-Specific Toxicity in a Preclinical Rodent Model. Advanced Healthcare Materials, 1601379. DOI: 10.1002/adhm.201601379.
3.1.
2017
Brehm, Martin; Kafka, Alexander; Bamler, Markus; Kühne, Ralph; Schüürmann, Gerrit; Sikk, Lauri; Burk, Jaanus; Burk, Peeter; Tamm, Tarmo; Tämm, Kaido; Pokhrel, Suman; Mädler, Lutz; Kahru, Anne; Aruoja, Villem; Sihtmäe, Mariliis; Scott-Fordsmand, Janeck; Sorensen, Peter B.; Escorihuela, Laura; Roca, Carlos P.; Fernández, Alberto ... (2017). An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project. In: Lang Tran, Miguel A. Bañares, Robert Rallo (Ed.). Modelling the Toxicity of Nanoparticles (257−301). springer Link.
1.1.
2016
Pillai, G.G.; Mederos, L.; Panda, C.S.; Gronski, A.; Burk, P.; Hall, C.D.; Katritzky, A.R.; Tämm, K.; Karelson, M. (2016). Robust Modeling and Scaffold Hopping: Case Study based on HIV Reverse Transcriptase Inhibitors Type-1 Data. Medicinal Chemistry, 16 (2), 513−526. DOI: 10.2174/1573406411666151005110141.
1.1.
2016
Tämm, K.; Sikk, L.; Burk, J.; Rallo, R.; Pokhrel, S.; Mädler, L.; Scott-Fordsmand, J.J.; Burk, P.; Tamm, T. (2016).

Parametrization of nanoparticles: development of full-particle nanodescriptors

. Nanoscale, 8, 16243−16250. DOI: 10.1039/C6NR04376C.
1.1.
2016
Kalvet, I.; Tammiku-Taul, J.; Mäeorg, U.; Tämm, K.; Burk, P.; Sikk, L. (2016). NMR and DFT Study of the Copper(I)-Catalyzed Cycloaddition Reaction: H/D Scrambling of Alkynes and Variable Reaction Order of the Catalyst. ChemCatChem, 8 (10), 1804−1808. DOI: 10.1002/cctc.201600176.
1.1.
2015
Pillai, Girinath G.; Sikk, Lauri; Tamm, Tarmo; Karelson, Mati; Burk, Peeter; Tamm, Kaido. (2015). Theoretical Modeling of HPV: QSAR and Novodesign with Fragment Approach. Current Computer Aided-Drug Design, 10 (4), 303−314. DOI: 10.2174/1574886309666141126145756.
1.1.
2015
Kipper, Andi; Kalvet, Indrek; Tämm, Kaido; Sikk, Lauri; Burk, Peeter; Kõiv, Kuldar; Mäeorg, Uno (2015). Synthesis of Unprotected CH2-Skipped Piperazine-Pyridine Alternating Cycles with Azide End-Group. Heterocycles, 90 (1), 625−630. DOI: 10.3987/COM-14-S(K)12.
1.1.
2015
Ibrahim, M.A.; Panda, S.S.; Oliferenko, A.; Oliferenko, P.V.; Girgis, A., Elagawany, M.; Küçükbay, F.Z.; Panda, C.S.; Pillai, G.G.; Samir, A.; Tämm, K.; Hall, C.D.; Katritzky, A.R. (2015). Macrocyclic peptidomimetics with antimicrobial activity: synthesis, bioassay, and molecular modeling studies. Organic & Biomolecular Chemistry, 13 (36), 9492−9503.10.1039/c5ob01400j.
1.1.
2013
Dobchev, D. A.; Tulp, I.; Karelson, G.; Tamm, T.; Tämm, K.; Karelson, M. (2013). Subchronic Oral and Inhalation Toxicities: a Challenging Attempt for Modeling and Prediction. Molecular Informatics, 32, 793−801.10.1002/minf.201300033.
1.1.
2013
Tämm, K.; Mayeux, C.; Sikk, L.; Gal, J-F.; Burk, P. (2013). Theoretical modeling of sensitivity factors of Bayard-Alpert ionization gauges. International Journal of Mass Spectrometry, 341, 52−58. DOI: 10.1016/j.ijms.2013.02.014.
1.1.
2012
Karelson, M.; Dobchev, D.A.; Karelson, G.; Tamm, T.; Tämm, K.; Nikonov, A.; Mutso, M.; Merits, A. (2012). Fragment-based development of HCV protease inhibitors for the treatment of hepatitis C. Current Computer - Aided Drug Design, 8 (1), 55−61.10.2174/157340912799218516.
1.1.
2011
Katritzky, A.R.; Stoyanova-Slavova, I.B.; Tämm, K.; Tamm, T.; Karelson, M. (2011). Application of the QSPR Approach to the Boiling Points of Azeotropes. Journal of Physical Chemistry A, 115 (15), 3475−3479.10.1021/jp104287p.
1.1.
2010
Dobchev, D. A.; Mäger, I.; Tulp, I.; Karelson, G.; Tamm, T.; Tämm, T.; Jänes, J.; Langel, Ü.; Karelson, M. (2010). Prediction of Cell-Penetrating Peptides Using Artificial Neural Networks. Current Computer - Aided Drug Design, 6 (2), 79−89.
1.1.
2010
Katritzky, A.R.; Kasemets, K.; Slavov, S.; Radzvilovits, M.; Tämm, K.; Karelson, M. (2010). Estimating the toxicities of organic chemicals in activated sludge process. Water Research, 44 (8), 2451−2460.10.1016/j.watres.2010.01.009.
1.2.
2010
Katritzky, A.R.; Radzvilovits, M.; Slavov, S.; Kasemets, K.; Tamm, K.; Karelson, M. (2010). Quantitative structure-activity relationship modeling of bioconcentration factors of polychlorinated biphenyls. Toxicological and Environmental Chemistry, 92 (7), 1233−1247.
1.1.
2009
Karelson, M.; Karelson, G.; Tamm, T.; Tulp, I.; Jänes, J.; Tämm, K.; Lomaka, A.; Savchenko, D.; Dobchev, D.A. (2009). QSAR study of pharmacological permeabilities. Arkivoc, 2, 218−238.
1.1.
2008
Karelson, M; Dobchev, D; Tamm, T; Tulp, I; Jänes, J; Tämm, K; Lomaka, A; Savchenko, D; Karelson, G (2008). Correlation of Blood-Brain Penetration and Human Serum Albumin Binding with Theoretical Descriptors. Arkivoc, xvi, 38−60.
5.2.
2007
Burk, P.; Koppel, I.A.;Leito, I.;Tämm, K. (2007). The limits of growth for superacidity and superbasicity of neutral Bronsted acids and bases. Book of Abstracts ESOR XI: XI European Symposium on Organic Reactivity,Faro,Portugal,July 1st-6th,2007. , 109.
1.1.
2006
Katritzky, A. R.; Dobchev, D. A.; Fara, D. C.; Hur, E.; Tämm, K.; Kurunczi, L.; Karelson, M.; Varnek, A.; Solov'ev, V. P. (2006). Skin Permeation Rate as a Function of Chemical Structure. Journal of Medicinal Chemistry, 49 (11), 3305−3314. DOI: 10.1021/jm051031d.
1.1.
2006
Tämm, K.; Burk, P. (2006). QSPR Analysis for Infinite Dilution Activity Coefficients of Organic Compounds. Journal of Molecular Modeling, 12 (4), 417−421.
5.2.
2006
Tulp, I.; Tämm, K.; Burk, P.; Trummal, A.; Koppel, I.A.; Karelson, M.; Maran, U. (2006). The quantum chemical modeling of solvent effect in the QSPR analysis of pKa of phenols in the H2O and DMSO. The 12th International Workshop on Quantitative Structure-Activity Relationships in Environmental Toxicology; 2006; France.
1.1.
2004
Katritzky, A.R.; Tämm, K.; Kuanar, M.; Fara, D.C.; Oliferenko, A.; Oliferenko, P.; Huddleston, J.G.; Rogers, R.D. (2004). Aqueous Biphasic Systems. Partitioning of Organic Molecules: A QSPR Treatment. Journal of Chemical Information and Computer Sciences, 44 (1), 136−142.
1.1.
2004
Katritzky, AR.; Fara, DC.; Yang, HF.; Tamm, K.; Tamm, T.; Karelson, M. (2004). Quantitative measures of solvent polarity. Chemical Reviews, 104 (1), 175−198.
1.1.
2004
Tämm, K.; Fara, DC.; Katritzky, AR.; Burk, P.; Karelson, M. (2004). A quantitative structure-property relationship study of lithium cation basicities. Journal of Physical Chemistry A, 108 (21), 4812−4818.
1.2.
2001
Burk, P.; Mölder, U.; Tämm, K. (2001). Gas-Phase Basicities and Proton Affinities of Alkali Metal Oxides and Hydroxides. A Theoretical Study. Proceedings of the Estonian Academy of Sciences. Chemistry, 50 (4), 241−253.
3.03.2021

Otsi projekti

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ProgrammLiikNumberNimiProjekti algusProjekti lõppVastutav täitjaAsutusFinantseerijapoolne rahastamine
MUULLOKT12027DNA:DNA interaktsiooni mõjutavate mimeetikute arvutuskeemiline modelleerimine01.02.201231.07.2012Kaido TämmTartu Ülikool; Tartu Ülikool, Loodus- ja tehnoloogiateaduskond, Tartu Ülikooli Keemia Instituut19 200,00 EUR
1.2.3.4.MLTAT20472R (951732)EuroHPC kompetentsikeskus01.09.202031.08.2022Ivar KoppelTartu Ülikool, Loodus- ja täppisteaduste valdkond, arvutiteaduse instituut1 460 000,00 EUR
1.2.3.4.MLTKT18520R (814572)Innovaatilised ja integreeritud nanoinformaatika mudelid ja moodulid (öko)toksikoloogiliste parameetrite ennustamiseks (NanoSolveIT)01.01.201931.12.2022Kaido TämmTartu Ülikool, Loodus- ja täppisteaduste valdkond, keemia instituut200 000,00 EUR
IUTIUT20-15Keemiliste protsesside efektiivsuse ja selektiivsuse tõstmine kompleksimoodustamise ja molekulaarse äratundmise kaudu01.01.201431.12.2019Peeter BurkTartu Ülikool, Loodus- ja täppisteaduste valdkond, keemia instituut1 013 400,00 EUR
SFSF0180120s08Komplekseerumistasakaalud Lewisi hapete ja aluste vahel. Eksperimentaalne ja arvutuslik uurimus.01.01.200831.12.2013Peeter BurkTartu Ülikool, Loodus- ja tehnoloogiateaduskond, Tartu Ülikooli Keemia Instituut525 550,00 EUR
SFSF0182570s03Kompleksimoodustumistasakaalud leelismetalli katioonide ja Lewise aluste vahel01.01.200331.12.2007Peeter BurkTartu Ülikool, Füüsika-keemiateaduskond217 171,79 EUR
ETFETF6695Lewisi hapete ja aluste vahelised tasakaalud. Arvutuslik uurimus.01.01.200631.12.2009Peeter BurkTartu Ülikool; Tartu Ülikool, Füüsika-keemiateaduskond; Tartu Ülikool, Loodus- ja tehnoloogiateaduskond45 556,23 EUR
MUUMLOKT12240RMODERN - Nanomaterjalide keskkonnamõjude modelleerimine01.01.201331.12.2015Kaido TämmTartu Ülikool; Tartu Ülikool, Loodus- ja tehnoloogiateaduskond, Tartu Ülikooli Keemia Instituut101 997,00 EUR
1.1.5.3.4.1.3.2.; 1.1.5.3.4.1.3.2.1.SLTKT19096T (MOBERA13)Nano ja mikrokonteineritel põhinevad keskkonnasõbralikud korrosioonivastased aktiivpinnakatted (ACTICOAT)01.01.201931.12.2021Silvar KallipTartu Ülikool, Loodus- ja täppisteaduste valdkond, keemia instituut96 473,91 EUR
ETFETF6708Tseoliitide kvantkeemiline uurimine01.01.200631.12.2009Kaido SillarTartu Ülikool; Tartu Ülikool, Loodus- ja tehnoloogiateaduskond57 704,56 EUR
ETFETF8809Uudsed B-N ühendid keemiliseks vesiniku salvestamiseks01.01.201131.12.2014Peeter BurkTartu Ülikool, Loodus- ja tehnoloogiateaduskond, Tartu Ülikooli Keemia Instituut47 040,00 EUR
2.1.1.LLTKT18526Uudsete juuksehooldusvahendite komponentide uurimine05.12.201830.06.2019Kaido TämmTartu Ülikool, Loodus- ja täppisteaduste valdkond, keemia instituut9 700,00 EUR