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Modeling Polypharmacological Profiles by Affinity Fingerprinting.
Curr Pharm Des. 2016;22(46):6885-6894. doi: 10.2174/1381612822666160831104718.
Curr Pharm Des. 2016.
PMID: 27587199
Review.
Relating the shape of protein binding sites to binding affinity profiles: is there an association?
Simon Z, Vigh-Smeller M, Peragovics A, Csukly G, Zahoránszky-Kohalmi G, Rauscher AA, Jelinek B, Hári P, Bitter I, Málnási-Csizmadia A, Czobor P.
Simon Z, et al. Among authors: peragovics a.
BMC Struct Biol. 2010 Oct 5;10:32. doi: 10.1186/1472-6807-10-32.
BMC Struct Biol. 2010.
PMID: 20923553
Free PMC article.
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Virtual affinity fingerprints for target fishing: a new application of Drug Profile Matching.
Peragovics Á, Simon Z, Tombor L, Jelinek B, Hári P, Czobor P, Málnási-Csizmadia A.
Peragovics Á, et al.
J Chem Inf Model. 2013 Jan 28;53(1):103-13. doi: 10.1021/ci3004489. Epub 2012 Dec 18.
J Chem Inf Model. 2013.
PMID: 23215025
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Drug effect prediction by polypharmacology-based interaction profiling.
Simon Z, Peragovics A, Vigh-Smeller M, Csukly G, Tombor L, Yang Z, Zahoránszky-Kohalmi G, Végner L, Jelinek B, Hári P, Hetényi C, Bitter I, Czobor P, Málnási-Csizmadia A.
Simon Z, et al. Among authors: peragovics a.
J Chem Inf Model. 2012 Jan 23;52(1):134-45. doi: 10.1021/ci2002022. Epub 2011 Dec 9.
J Chem Inf Model. 2012.
PMID: 22098080
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Contribution of 2D and 3D structural features of drug molecules in the prediction of Drug Profile Matching.
Peragovics A, Simon Z, Brandhuber I, Jelinek B, Hári P, Hetényi C, Czobor P, Málnási-Csizmadia A.
Peragovics A, et al.
J Chem Inf Model. 2012 Jul 23;52(7):1733-44. doi: 10.1021/ci3001056. Epub 2012 Jun 29.
J Chem Inf Model. 2012.
PMID: 22697495
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Experimental confirmation of new drug-target interactions predicted by Drug Profile Matching.
Végner L, Peragovics Á, Tombor L, Jelinek B, Czobor P, Bender A, Simon Z, Málnási-Csizmadia A.
Végner L, et al. Among authors: peragovics a.
J Med Chem. 2013 Nov 14;56(21):8377-88. doi: 10.1021/jm400813y. Epub 2013 Oct 23.
J Med Chem. 2013.
PMID: 24088053
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Structure Drawing at the Heart of Teaching Chemistry.
Peragovics Á, Biró E.
Peragovics Á, et al.
Chimia (Aarau). 2021 Feb 28;75(1-2):54-57. doi: 10.2533/chimia.2021.54.
Chimia (Aarau). 2021.
PMID: 33637148
Free article.
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