Rinaldo Wander Montalvão

Affiliations: 
Katholieke Universiteit Leuven, Leuven, Vlaanderen, Belgium 
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"Rinaldo Montalvão"
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Publications

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Marinho da Silva Neto A, Silva SR, Vendruscolo M, et al. (2018) A superposition free method for protein conformational ensemble analyses and local clustering based on a differential geometry representation of backbone. Proteins
Timmers LFSM, Neto AMS, Montalvão RW, et al. (2017) EPSP synthase flexibility is determinant to its function: computational molecular dynamics and metadynamics studies. Journal of Molecular Modeling. 23: 197
Pitt WR, Montalvão RW, Blundell TL. (2014) Polyphony: superposition independent methods for ensemble-based drug discovery. Bmc Bioinformatics. 15: 324
Montalvao R, Camilloni C, De Simone A, et al. (2014) New opportunities for tensor-free calculations of residual dipolar couplings for the study of protein dynamics. Journal of Biomolecular Nmr. 58: 233-8
De Simone A, Montalvao RW, Dobson CM, et al. (2013) Characterization of the interdomain motions in hen lysozyme using residual dipolar couplings as replica-averaged structural restraints in molecular dynamics simulations. Biochemistry. 52: 6480-6
Montalvao RW, De Simone A, Vendruscolo M. (2012) Determination of structural fluctuations of proteins from structure-based calculations of residual dipolar couplings. Journal of Biomolecular Nmr. 53: 281-92
De Simone A, Montalvao RW, Vendruscolo M. (2011) Determination of Conformational Equilibria in Proteins Using Residual Dipolar Couplings. Journal of Chemical Theory and Computation. 7: 4189-4195
Cavalli A, Montalvao RW, Vendruscolo M. (2011) Using chemical shifts to determine structural changes in proteins upon complex formation. The Journal of Physical Chemistry. B. 115: 9491-4
Montalvao RW, Cavalli A, Salvatella X, et al. (2008) Structure determination of protein-protein complexes using NMR chemical shifts: case of an endonuclease colicin-immunity protein complex. Journal of the American Chemical Society. 130: 15990-6
Smith RE, Lovell SC, Burke DF, et al. (2007) Andante: reducing side-chain rotamer search space during comparative modeling using environment-specific substitution probabilities. Bioinformatics (Oxford, England). 23: 1099-105
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