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Revisiting the Plasmodium falciparum druggable genome using predicted structures and data mining.
Godinez-Macias KP, Chen D, Wallis JL, Siegel MG, Adam A, Bopp S, Carolino K, Coulson LB, Durst G, Thathy V, Esherick L, Farringer MA, Flannery EL, Forte B, Liu T, Magalhaes LG, Gupta AK, Istvan ES, Jiang T, Kumpornsin K, Lobb K, McLean K, Moura IMR, Okombo J, Payne NC, Plater A, Rao SPS, Siqueira-Neto JL, Somsen BA, Summers RL, Zhang R, Gilson MK, Gamo FJ, Campo B, Baragaña B, Duffy J, Gilbert IH, Lukens AK, Dechering KJ, Niles JC, McNamara CW, Cheng X, Birkholtz LM, Bronkhorst AW, Fidock DA, Wirth DF, Goldberg DE, Lee MCS, Winzeler EA. Godinez-Macias KP, et al. Among authors: somsen ba. Res Sq [Preprint]. 2024 Nov 26:rs.3.rs-5412515. doi: 10.21203/rs.3.rs-5412515/v1. Res Sq. 2024. PMID: 39649165 Free PMC article. Preprint.
Covalent flexible peptide docking in Rosetta.
Tivon B, Gabizon R, Somsen BA, Cossar PJ, Ottmann C, London N. Tivon B, et al. Among authors: somsen ba. Chem Sci. 2021 Jul 12;12(32):10836-10847. doi: 10.1039/d1sc02322e. eCollection 2021 Aug 18. Chem Sci. 2021. PMID: 34476063 Free PMC article.
Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor γt.
Meijer FA, Saris AOWM, Doveston RG, Oerlemans GJM, de Vries RMJM, Somsen BA, Unger A, Klebl B, Ottmann C, Cossar PJ, Brunsveld L. Meijer FA, et al. Among authors: somsen ba. J Med Chem. 2021 Jul 8;64(13):9238-9258. doi: 10.1021/acs.jmedchem.1c00475. Epub 2021 May 19. J Med Chem. 2021. PMID: 34008974 Free PMC article.