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Molecular simulations
6
"Studies of 4-arylthiazolylhydrazones derived from 1-indanones as Trypanosoma cruzi squalene epoxidase inhibitors by molecular simulations" (2018) Noguera, G.J.; Fabian, L.E.; Lombardo, E.; Finkielsztein, L.M. Organic and Biomolecular Chemistry. 16(44):8525-8536
"Stability and Vapor Pressure of Aqueous Aggregates and Aerosols Containing a Monovalent Ion" (2017) Perez Sirkin, Y.A.; Factorovich, M.H.; Molinero, V.; Scherlis, D.A. Journal of Physical Chemistry A. 121(13):2597-2602
"Structured and Unstructured Binding of an Intrinsically Disordered Protein as Revealed by Atomistic Simulations" (2016) Ithuralde, R.E.; Roitberg, A.E.; Turjanski, A.G. Journal of the American Chemical Society. 138(28):8742-8751
"Hydrogen-Bond Heterogeneity Boosts Hydrophobicity of Solid Interfaces" (2015) Factorovich, M.H.; Molinero, V.; Scherlis, D.A. Journal of the American Chemical Society. 137(33):10618-10623
"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