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Year Number of Results
2012 2
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FoldAffinity: binding affinities from nDSF experiments.
Niebling S, Burastero O, Bürgi J, Günther C, Defelipe LA, Sander S, Gattkowski E, Anjanappa R, Wilmanns M, Springer S, Tidow H, García-Alai M. Niebling S, et al. Among authors: defelipe la. Sci Rep. 2021 May 5;11(1):9572. doi: 10.1038/s41598-021-88985-z. Sci Rep. 2021. PMID: 33953265 Free PMC article.
Kinase Activation by Small Conformational Changes.
Lopez ED, Burastero O, Arcon JP, Defelipe LA, Ahn NG, Marti MA, Turjanski AG. Lopez ED, et al. Among authors: defelipe la. J Chem Inf Model. 2020 Feb 24;60(2):821-832. doi: 10.1021/acs.jcim.9b00782. Epub 2019 Nov 27. J Chem Inf Model. 2020. PMID: 31714778 Free PMC article.
Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.
Burastero O, Defelipe LA, Gola G, Tateosian NL, Lopez ED, Martinena CB, Arcon JP, Traian MD, Wetzler DE, Bento I, Barril X, Ramirez J, Marti MA, Garcia-Alai MM, Turjanski AG. Burastero O, et al. Among authors: defelipe la. J Med Chem. 2022 Jul 28;65(14):9691-9705. doi: 10.1021/acs.jmedchem.1c02012. Epub 2022 Jun 23. J Med Chem. 2022. PMID: 35737472 Free PMC article.
Deamidation drives molecular aging of the SARS-CoV-2 spike protein receptor-binding motif.
Lorenzo R, Defelipe LA, Aliperti L, Niebling S, Custódio TF, Löw C, Schwarz JJ, Remans K, Craig PO, Otero LH, Klinke S, García-Alai M, Sánchez IE, Alonso LG. Lorenzo R, et al. Among authors: defelipe la. J Biol Chem. 2021 Oct;297(4):101175. doi: 10.1016/j.jbc.2021.101175. Epub 2021 Sep 7. J Biol Chem. 2021. PMID: 34499924 Free PMC article.
Thiol redox biochemistry: insights from computer simulations.
Zeida A, Guardia CM, Lichtig P, Perissinotti LL, Defelipe LA, Turjanski A, Radi R, Trujillo M, Estrin DA. Zeida A, et al. Among authors: defelipe la. Biophys Rev. 2014 Mar;6(1):27-46. doi: 10.1007/s12551-013-0127-x. Epub 2014 Jan 9. Biophys Rev. 2014. PMID: 28509962 Free PMC article. Review.
eSPC: an online data-analysis platform for molecular biophysics.
Burastero O, Niebling S, Defelipe LA, Günther C, Struve A, Garcia Alai MM. Burastero O, et al. Among authors: defelipe la. Acta Crystallogr D Struct Biol. 2021 Oct 1;77(Pt 10):1241-1250. doi: 10.1107/S2059798321008998. Epub 2021 Sep 24. Acta Crystallogr D Struct Biol. 2021. PMID: 34605428 Free PMC article.
TuberQ: a Mycobacterium tuberculosis protein druggability database.
Radusky L, Defelipe LA, Lanzarotti E, Luque J, Barril X, Marti MA, Turjanski AG. Radusky L, et al. Among authors: defelipe la. Database (Oxford). 2014 May 8;2014(0):bau035. doi: 10.1093/database/bau035. Print 2014. Database (Oxford). 2014. PMID: 24816183 Free PMC article.
30 results