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Ligand migration
11
"Structural Plasticity in Globins: Role of Protein Dynamics in Defining Ligand Migration Pathways" (2016) Estarellas, C.;Capece, L.;Seira, C. (...)Christov C.Z. Advances in Protein Chemistry and Structural Biology. 105:59-80
"Protein dynamics and ligand migration interplay as studied by computer simulation" (2011) Arroyo-Mañez, P.;Bikiel, D.E.;Boechi, L. (...)Petruk, A.A. Biochimica et Biophysica Acta - Proteins and Proteomics. 1814(8):1054-1064
"Protein dynamics and ligand migration interplay as studied by computer simulation" (2011) Arroyo-Mañez, P.;Bikiel, D.E.;Boechi, L. (...)Petruk, A.A. Biochimica et Biophysica Acta - Proteins and Proteomics. 1814(8):1054-1064
"Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins" (2011) Forti, F.; Boechi, L.; Estrin, D.A.; Marti, M.A. Journal of Computational Chemistry. 32(10):2219-2231
"Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration" (2011) Moreno, D.M.;Martí, M.A.;De Biase, P.M. (...)Boechi, L. Archives of Biochemistry and Biophysics. 507(2):304-309
"Unraveling the molecular basis for ligand binding in truncated hemoglobins: The trHbO Bacillus subtilis case" (2010) Boechi, L.;Mañez, P.A.;Javier Luque, F. (...)Estrin, D.A. Proteins: Structure, Function and Bioinformatics. 78(4):962-970
"Exploring the nitric oxide detoxification mechanism of mycobacterium tuberculosis truncated haemoglobin N" (2009) Bidon-Chanal, A.; Martí, M.A.; Estrín, D.A.; Luque, F.J. NATO Security through Science Series C: Environmental Security:33-47
"Exploring the nitric oxide detoxification mechanism of mycobacterium tuberculosis truncated haemoglobin N" (2009) Bidon-Chanal, A.; Martí, M.A.; Estrín, D.A.; Luque, F.J. NATO Science for Peace and Security Series A: Chemistry and Biology:33-47
"Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O" (2008) Boechi, L.;Martí, M.A.;Milani, M. (...)Estrin, D.A. Proteins: Structure, Function and Genetics. 73(2):372-379
"Dynamical regulation of ligand migration by a gate-opening molecular switch in truncated hemoglobin-N from Mycobacterium tuberculosis" (2007) Bidon-Chanal, A.; Martí, M.A.; Estrin, D.A.; Luque, F.J. Journal of the American Chemical Society. 129(21):6782-6788
"Ligand-induced dynamical regulation of NO conversion in Mycobacterium tuberculosis truncated hemoglobin-N" (2006) Bidon-Chanal, A.;Martí, M.A.;Crespo, A. (...)Estrin, D.A. Proteins: Structure, Function and Genetics. 64(2):457-464