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Montalvao, R
Montalvao, R
Email verificata su kuleuven.be
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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
2152006
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
602007
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
572008
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 (4), 281-292, 2012
512012
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
442011
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
382013
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
342013
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
292005
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
142011
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), 06B604_1, 2013
122013
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
122001
Polyphony: superposition independent methods for ensemble-based drug discovery
WR Pitt, RW Montalvão, TL Blundell
BMC bioinformatics 15 (1), 1-18, 2014
112014
EPSP synthase flexibility is determinant to its function: computational molecular dynamics and metadynamics studies
LFSM Timmers, A Neto, RW Montalvão, LA Basso, DS Santos, ...
Journal of molecular modeling 23 (7), 1-8, 2017
92017
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 Montalvão
Proteins: Structure, Function, and Bioinformatics 87 (4), 302-312, 2019
82019
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 (4), 233-238, 2014
82014
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
52012
A superposition free method for protein conformational ensemble analyses and local clustering based on a differential geometry representation of backbone
AMS Neto, SR Silva, M Vendruscolo, C Camilloni, RW Montalvão
1
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
2022
A model of key residues interactions for HPVs E1 DNA binding domain-DNA interface based on HPVs residues conservation profiles and molecular dynamics simulations
AM da Silva Neto, R Wander Montalvão, D Bruneska Gondim Martins, ...
Journal of Biomolecular Structure and Dynamics 38 (12), 3720-3729, 2020
2020
Protein conformational ensemble analyses based on differential geometry and information theory
AM Silva Neto, G Oliva, RW Montalvão
Livro de Resumos, 2017
2017
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20