The computational approach for rational monomer selection in molecularly imprinted polymer synthesis [Online resource]Boroznjak, Roman; Lomaka, Andre; Sõritski, Vitali; Reut, JekaterinaTartu Ülikooli ASTRA projekt PER ASPERA : Funktsionaalsed materjalid ja tehnoloogiad : [7-8 märts 2017, Tartu : teesid]2017 / [1] p. : ill http://fmtdk.ut.ee/teesid/

A computational approach to study functional monomer‐protein molecular interactions to optimize protein molecular imprintingBoroznjak, Roman; Reut, Jekaterina; Tretjakov, Aleksei; Lomaka, Andre; Öpik, Andres; Sõritski, VitaliJournal of molecular recognition2017 / art. e2635, p. 1-9 : ill https://doi.org/10.1002/jmr.2635

Correlation of blood-brain penetration and human serum albumin binding with theoretical descriptiorsKarelson, Mati; Dobchev, Dimitar; Tamm, Tarmo; Tulp, Indrek; Jänes, Jaak; Tämm, Kaido; Lomaka, Andre; Savchenko, Deniss; Karelson, GunnarArkivoc2008 / XVI, p. 38-60 : ill https://www.arkat-usa.org/get-file/26925/

Correlation of the melting points of potential ionic liquids (Imidazolium Bromides and Benzimidazolium Bromides) using CODESSA program [J.Chem.Inf.Comput.Sci. 42, 225-231 (2002)]Katritzky, Alan R.; Jain, Ritu; Lomaka, Andre; Petrukhin, Ruslan; Karelson, Mati; Visser, Ann E.; Rodgers, Robin D.Journal of chemical information and modeling2005 / 2, p. 533-534 https://pubs.acs.org/doi/10.1021/ci049691z

In silico approach to finding new scaffolds for LRRK2 inhibitionKahn, Iiris; Lomaka, Andre; Karelson, MatiEuropean Pharma Summit : Berlin, Germany, May 5-8, 2015 : abstracts2015 / [1] p

Linearization of moment tensor potentialsLomaka, Andre; Tamm, Toomas10th Congress of the International Society of Theoretical Chemical Physics, Tromsø, 11-17 July 2019 : ISTCP-X : book of abstracts2019 / Poster: P1-61 http://istcp-2019.org/assets/pdf/BookOfAbstracts.pdf

Linearization of moment tensor potentials for multicomponent systems with a preliminary assessment for short-range interaction energy in water dimer and trimerLomaka, Andre; Tamm, ToomasThe Journal of chemical physics2020 / art. 164115, 8 p. : ill https://doi.org/10.1063/5.0007473 Journal metrics at Scopus Journal metrics at WOS Article at WOS

QSAR study of pharmacological permeabilitiesKarelson, Mati; Karelson, Gunnar; Tamm, Tarmo; Tulp, Indrek; Jänes, Jaak; Tämm, Kaido; Lomaka, Andre; Savtšenko, Deniss; Dobchev, DimitarArkivoc2009 / 2, p. 218-238 : ill https://citeseerx.ist.psu.edu/document?repid=rep1&type=pdf&doi=04010557f978e40f8e33b61f9570340690f7940e

Topological fingerprints as an aid in finding structural patterns for LRRK2 inhibitionKahn, Iiris; Lomaka, Andre; Karelson, MatiMolecular informatics2014 / p. 269-275 : ill

Using a private desktop grid system for accelerating drug discoveryKovacs, Jozsef; Kacsuk, Peter; Lomaka, AndreFuture generation computer systems2011 / p. 657-666 : ill