Laboratorio de Biofísica Teórica y Computacional (LBTyC)
Publicaciones
(últimos cinco años)
Initial substrate binding orientations in cytochrome P450cam (CYP101A1), G. Alvarez, T. Le, N. Wong, J. Echave, T. Pochapsky, and E. Asciutto, Biochemistry, (2022), In Review.
Depletion of CD206+ tumor macrophages via a peptide targeted star shaped polyglutamate inhibits tumourigenesis and metastatic dissemination in breast cancer models, A. Lepland, A. Malfanti, U. Haljasorg, E. Asciutto, M. Pickholz, M. Bringas, S. Dordevic, L. Salumae, P. Peterson, T. Teesalu, M. Vicent and P. Scodeller, Cancer Research Comm., (2022), https://doi.org/10.1158/2767-9764.CRC-22-0043.
J Echave, Fast computational mutation-response scanning of proteins, PeerJ 9 (2021) e11330.
J Echave, Evolutionary coupling range varies widely among enzymes, Biophys J. 1120 (2021) 4320-4324.
Pl1 peptide engages acidic surfaces on tumor-associated fibronectin and tenascin isoforms to trigger cellular uptake, Lingasamy, P., Põšnograjeva, K., Kopanchuk, S., Asciutto, E.K., Teesalu, T., Pharmaceutics, (2021), 13(12), p: 1998.
Physical interactions driving the activation/inhibition of calcium/calmodulin dependent protein kinase II, Asciutto, E.K., Pantano, S., General, I.J., Journal of Molecular Graphics and Modelling, (2021), 105, 107875.
Protein Tyrosine Phosphatase 1B, PTP1B, Targets Fak and Paxillin in Cell-Matrix Adhesions, Ana Gonzalez Wusener, Angela Gonzalez, Maria E. Perez Collado, Melina R. Maza, Ignacio J. General, Carlos O. Arregui, J. Cell Sci., (2021), doi: 10.1242/jcs.258769.
M. L. Marcos, J. Echave, The variation among sites of protein structure divergence is shaped by mutation and scaled by selection, Current Res. Struct. Biol. 2 (2020) 156-163.
Targeting Pro-Tumoral Macrophages in Early Primary and Metastatic Breast Tumors with the CD206-Binding mUNO Peptide, Lepland A, Asciutto EK, Malfanti A, et al., Mol Pharm. (2020); doi: 10.1021/acs.molpharmaceut.0c00226.
Targeting Tumors using Peptides, P. Scodeller and EK Asciutto, Molecules, (2020), 25, (4), 808.
J Echave, Beyond Stability Constraints: A Biophysical Model of Enzyme Evolution with Selection on Stability and Activity, Mol. Biol. Evol. 36 (2019) 613-620.
Phage-Display-Derived Peptide Binds to Human CD206 and Modeling Reveals a New Binding Site on the Receptor, EK. Asciutto, S Kopanchuk, A Lepland, L Simon-gracia, C German, T Teesalu, and P Scodeller, J. Phys. Chem. B, (2019), 123, (9), 1973-1982.
Some surprising implications of NMR-directed simulations of substrate recognition and binding by cytochrome P450cam (CYP101A1), EK Asciutto and T Pochapsky, JMB, (2018).