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Items: 1 to 20 of 79

1.

Towards Predicting the Cytochrome P450 Modulation: From QSAR to Proteochemometric Modeling.

Shoombuatong W, Prathipati P, Prachayasittikul V, Schaduangrat N, Malik AA, Pratiwi R, Wanwimolruk S, Wikberg JES, Gleeson MP, Spjuth O, Nantasenamat C.

Curr Drug Metab. 2017 Jul 21;18(6):540-555. doi: 10.2174/1389200218666170320121932. Review.

PMID:
28322159
2.

Exploring the epigenetic drug discovery landscape.

Prachayasittikul V, Prathipati P, Pratiwi R, Phanus-Umporn C, Malik AA, Schaduangrat N, Seenprachawong K, Wongchitrat P, Supokawej A, Prachayasittikul V, Wikberg JE, Nantasenamat C.

Expert Opin Drug Discov. 2017 Apr;12(4):345-362. doi: 10.1080/17460441.2017.1295954. Epub 2017 Feb 28. Review.

PMID:
28276705
3.

HemoPred: a web server for predicting the hemolytic activity of peptides.

Win TS, Malik AA, Prachayasittikul V, S Wikberg JE, Nantasenamat C, Shoombuatong W.

Future Med Chem. 2017 Mar;9(3):275-291. doi: 10.4155/fmc-2016-0188. Epub 2017 Feb 17.

PMID:
28211294
4.

osFP: a web server for predicting the oligomeric states of fluorescent proteins.

Simeon S, Shoombuatong W, Anuwongcharoen N, Preeyanon L, Prachayasittikul V, Wikberg JE, Nantasenamat C.

J Cheminform. 2016 Dec 20;8:72. doi: 10.1186/s13321-016-0185-8. eCollection 2016.

5.

Probing the origins of human acetylcholinesterase inhibition via QSAR modeling and molecular docking.

Simeon S, Anuwongcharoen N, Shoombuatong W, Malik AA, Prachayasittikul V, Wikberg JES, Nantasenamat C.

PeerJ. 2016 Aug 9;4:e2322. doi: 10.7717/peerj.2322. eCollection 2016.

6.

Large-scale ligand-based predictive modelling using support vector machines.

Alvarsson J, Lampa S, Schaal W, Andersson C, Wikberg JE, Spjuth O.

J Cheminform. 2016 Aug 10;8:39. doi: 10.1186/s13321-016-0151-5. eCollection 2016.

7.

Roles of d-Amino Acids on the Bioactivity of Host Defense Peptides.

Li H, Anuwongcharoen N, Malik AA, Prachayasittikul V, Wikberg JE, Nantasenamat C.

Int J Mol Sci. 2016 Jun 30;17(7). pii: E1023. doi: 10.3390/ijms17071023. Review.

8.

New Polyfunctional Phragmalin Limonoids from Neobeguea mahafalensis.

Fossen T, Yahorau A, Yahorava S, Raharinjato F, Razafimahefa S, Rasoanaivo P, Wikberg JE.

Planta Med. 2016 Jul;82(11-12):1087-95. doi: 10.1055/s-0042-108741. Epub 2016 Jun 24.

PMID:
27340794
9.

Origin of aromatase inhibitory activity via proteochemometric modeling.

Simeon S, Spjuth O, Lapins M, Nabu S, Anuwongcharoen N, Prachayasittikul V, Wikberg JE, Nantasenamat C.

PeerJ. 2016 May 12;4:e1979. doi: 10.7717/peerj.1979. eCollection 2016.

10.

Proteochemometric model for predicting the inhibition of penicillin-binding proteins.

Nabu S, Nantasenamat C, Owasirikul W, Lawung R, Isarankura-Na-Ayudhya C, Lapins M, Wikberg JE, Prachayasittikul V.

J Comput Aided Mol Des. 2015 Feb;29(2):127-41. doi: 10.1007/s10822-014-9809-0. Epub 2014 Oct 26.

PMID:
25344841
11.

Benchmarking study of parameter variation when using signature fingerprints together with support vector machines.

Alvarsson J, Eklund M, Andersson C, Carlsson L, Spjuth O, Wikberg JE.

J Chem Inf Model. 2014 Nov 24;54(11):3211-7. doi: 10.1021/ci500344v. Epub 2014 Oct 28.

PMID:
25318024
12.

Ligand-based target prediction with signature fingerprints.

Alvarsson J, Eklund M, Engkvist O, Spjuth O, Carlsson L, Wikberg JE, Noeske T.

J Chem Inf Model. 2014 Oct 27;54(10):2647-53. doi: 10.1021/ci500361u. Epub 2014 Oct 3.

PMID:
25230336
13.

Illuminating the origins of spectral properties of green fluorescent proteins via proteochemometric and molecular modeling.

Nantasenamat C, Simeon S, Owasirikul W, Songtawee N, Lapins M, Prachayasittikul V, Wikberg JE.

J Comput Chem. 2014 Oct 15;35(27):1951-66. doi: 10.1002/jcc.23708. Epub 2014 Aug 12.

PMID:
25117954
14.

Semisynthesis of libiguin A and its analogues by trans-lactonization of phragmalin.

Grigorjeva L, Liepinsh E, Razafimahefa S, Yahorau A, Yahorava S, Rasoanaivo P, Jirgensons A, Wikberg JE.

J Org Chem. 2014 May 2;79(9):4148-53. doi: 10.1021/jo500318w. Epub 2014 Apr 21.

PMID:
24716657
15.

Libiguins A and B: novel phragmalin limonoids isolated from Neobeguea mahafalensis causing profound enhancement of sexual activity.

Razafimahefa S, Mutulis F, Mutule I, Liepinsh E, Dambrova M, Cirule H, Svalbe B, Yahorava S, Yahorau A, Rasolondratovo B, Rasoanaivo P, Wikberg JE.

Planta Med. 2014 Mar;80(4):306-14. doi: 10.1055/s-0033-1360390. Epub 2014 Feb 18.

PMID:
24549927
16.

A unified proteochemometric model for prediction of inhibition of cytochrome p450 isoforms.

Lapins M, Worachartcheewan A, Spjuth O, Georgiev V, Prachayasittikul V, Nantasenamat C, Wikberg JE.

PLoS One. 2013 Jun 17;8(6):e66566. doi: 10.1371/journal.pone.0066566. Print 2013.

17.

Design and evaluation of substrate-based octapeptide and non substrate-based tetrapeptide inhibitors of dengue virus NS2B-NS3 proteases.

Prusis P, Junaid M, Petrovska R, Yahorava S, Yahorau A, Katzenmeier G, Lapins M, Wikberg JE.

Biochem Biophys Res Commun. 2013 May 17;434(4):767-72. doi: 10.1016/j.bbrc.2013.03.139. Epub 2013 Apr 12.

18.

Bioclipse-R: integrating management and visualization of life science data with statistical analysis.

Spjuth O, Georgiev V, Carlsson L, Alvarsson J, Berg A, Willighagen E, Wikberg JE, Eklund M.

Bioinformatics. 2013 Jan 15;29(2):286-9. doi: 10.1093/bioinformatics/bts681. Epub 2012 Nov 23.

19.

Enzymatic analysis of recombinant Japanese encephalitis virus NS2B(H)-NS3pro protease with fluorogenic model peptide substrates.

Junaid M, Chalayut C, Sehgelmeble Torrejon A, Angsuthanasombat C, Shutava I, Lapins M, Wikberg JE, Katzenmeier G.

PLoS One. 2012;7(5):e36872. doi: 10.1371/journal.pone.0036872. Epub 2012 May 15.

20.

Brunn: an open source laboratory information system for microplates with a graphical plate layout design process.

Alvarsson J, Andersson C, Spjuth O, Larsson R, Wikberg JE.

BMC Bioinformatics. 2011 May 20;12:179. doi: 10.1186/1471-2105-12-179.

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