Fine tuning for success in structure-based virtual screening.

Autor: Pihan, Emilie¹ (AUTHOR) emilie.pihan@evotec.com, Kotev, Martin¹ (AUTHOR), Rabal, Obdulia¹ (AUTHOR), Beato, Claudia² (AUTHOR), Diaz Gonzalez, Constantino¹ (AUTHOR)

Publikováno v: Journal of Computer-Aided Molecular Design. Dec2021, Vol. 35 Issue 12, p1195-1206. 12p.

Unveiling Prolyl Oligopeptidase Ligand Migration by Comprehensive Computational Techniques

Autor: Kotev, Martin, Lecina, Daniel, Tarragó, Teresa, Giralt, Ernest, Guallar, Víctor

Publikováno v: In Biophysical Journal 6 January 2015 108(1):116-125

Molecular mechanics (CONFLEX/MM3) search/minimization study of the conformations of ornoside and escuside

Autor: Kotev, Martin I., Goto, Hitoshi, Ivanov, Petko M.

Publikováno v: In Journal of Molecular Structure 2005 748(1):9-16

Inhibition of Human Enhancer of Zeste Homolog 2 (EZH2) with Tambjamine Analogs

Autor: Kotev, Martin, Manuel-Manresa, Pilar, Hernando, Elsa, Soto-Cerrato, Vanessa, Orozco, Modesto, Quesada, Roberto, Pérez-Tomás, Ricardo, Guallar, Victor|||0000-0002-4580-1114

Publikováno v: Recercat. Dipósit de la Recerca de Catalunya
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UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)

Combining computational modeling, de novo compound synthesis, and in vitro and cellular assays, we have performed an inhibition study against the enhancer of zeste homolog 2 (EZH2) histone-lysine N-methyltransferase. This enzyme is an important catal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::6e5e48da1d50aea87865d35360955f8e
https://hdl.handle.net/2117/107317

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