| Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery TL Blundell, BL Sibanda, RW Montalvão, S Brewerton, V Chelliah, ... Philosophical Transactions of the Royal Society B: Biological Sciences 361 …, 2006 | 242 | 2006 |
| Structure determination of protein− protein complexes using NMR chemical shifts: case of an endonuclease colicin− immunity protein complex RW Montalvao, A Cavalli, X Salvatella, TL Blundell, M Vendruscolo Journal of the American Chemical Society 130 (47), 15990-15996, 2008 | 63 | 2008 |
| Andante: reducing side-chain rotamer search space during comparative modeling using environment-specific substitution probabilities RE Smith, SC Lovell, DF Burke, RW Montalvao, TL Blundell Bioinformatics 23 (9), 1099-1105, 2007 | 61 | 2007 |
| Determination of structural fluctuations of proteins from structure-based calculations of residual dipolar couplings RW Montalvao, A De Simone, M Vendruscolo Journal of biomolecular NMR 53, 281-292, 2012 | 56 | 2012 |
| Determination of conformational equilibria in proteins using residual dipolar couplings A De Simone, RW Montalvao, M Vendruscolo Journal of chemical theory and computation 7 (12), 4189-4195, 2011 | 44 | 2011 |
| Characterization of the interdomain motions in hen lysozyme using residual dipolar couplings as replica-averaged structural restraints in molecular dynamics simulations A De Simone, RW Montalvao, CM Dobson, M Vendruscolo Biochemistry 52 (37), 6480-6486, 2013 | 43 | 2013 |
| Structures of the excited states of phospholamban and shifts in their populations upon phosphorylation A De Simone, M Gustavsson, RW Montalvao, L Shi, G Veglia, ... Biochemistry 52 (38), 6684-6694, 2013 | 34 | 2013 |
| CHORAL: a differential geometry approach to the prediction of the cores of protein structures RW Montalvão, RE Smith, SC Lovell, TL Blundell Bioinformatics 21 (19), 3719-3725, 2005 | 31 | 2005 |
| Using chemical shifts to determine structural changes in proteins upon complex formation A Cavalli, RW Montalvao, M Vendruscolo The Journal of Physical Chemistry B 115 (30), 9491-9494, 2011 | 17 | 2011 |
| A method of determining RNA conformational ensembles using structure-based calculations of residual dipolar couplings AN Borkar, A De Simone, RW Montalvao, M Vendruscolo The Journal of Chemical Physics 138 (21), 2013 | 16 | 2013 |
| New opportunities for tensor-free calculations of residual dipolar couplings for the study of protein dynamics R Montalvao, C Camilloni, A De Simone, M Vendruscolo Journal of biomolecular NMR 58, 233-238, 2014 | 13 | 2014 |
| Line shapes of singlet-state photoassociation spectra of trapped strontium atoms near the photon-recoil temperature RW Montalvão, R de Jesus Napolitano Physical Review A 64 (1), 011403, 2001 | 12 | 2001 |
| EPSP synthase flexibility is determinant to its function: computational molecular dynamics and metadynamics studies LFSM Timmers, AMS Neto, RW Montalvão, LA Basso, DS Santos, ... Journal of molecular modeling 23 (7), 197, 2017 | 11 | 2017 |
| Polyphony: superposition independent methods for ensemble-based drug discovery WR Pitt, RW Montalvão, TL Blundell BMC bioinformatics 15, 1-18, 2014 | 10 | 2014 |
| A superposition free method for protein conformational ensemble analyses and local clustering based on a differential geometry representation of backbone AM da Silva Neto, SR Silva, M Vendruscolo, C Camilloni, RW Montalvao Proteins: Structure, Function, and Bioinformatics 87 (4), 302-312, 2019 | 9 | 2019 |
| ARABESQUE: A tool for protein structural comparison using differential geometry and knot theory H Leung, B Montaño, T Blundell, M Vendruscolo, RW Montalvão World Res J Peptide Protein 1, 33-40, 2012 | 4 | 2012 |
| Structural insights into the morpholino nucleic acid/RNA duplex using the new XNA builder Ducque in a molecular modeling pipeline J Rihon, CA Mattelaer, RW Montalvão, M Froeyen, VB Pinheiro, ... Nucleic Acids Research, gkae135, 2024 | | 2024 |
| Lira: Rotational Invariant Shape and Electrostatic Descriptors for Small Molecules based on Real Spherical Harmonics R Montalvão, F Caires, S Silva, M Veríssimo-Alves, V Pinheiro | | 2023 |
| Development of thermostable red fluorescent protein variants of DsRmCh as a novel tool for thermophilic research Y Xu, D Sybers, I Bervoets, RW Montalvão, V Pinheiro, E Peeters Thermophiles 2023: 16th International Congress Thermophiles 2023, 2023 | | 2023 |
| Lira: Rotational Invariant Shape and Electrostatic Descriptors for Small Molecules and Protein Pockets based on Real Spherical Harmonics FR Caires, SR Silva, M Veríssimo-Alves, VB Pinheiro, RW Montalvão bioRxiv, 2022.01. 19.476747, 2022 | | 2022 |
Michele VendruscoloProfessor of Biophysics, University of CambridgeEmail verificata su cam.ac.uk
